SCHEMBL28237

SCHEMBL28237

CON(C)C(=O)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MLYCD O95822 2/20 0.51
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ NAPRT Q6XQN6 1/20 0.45
▸ CYP1A2 P05177 4/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CYP1A1 P04798 3/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ CYP1B1 Q16678 3/20 0.42
▸ HSP90AA1 P07900 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2307956 0.79 HCAR2 (0.50) KDM4EKMT2AMLYCDHTTHSD17B10
SCHEMBL28777 0.79 MLYCD (0.54) KDM4EKMT2AMLYCDLMNANAPRT
SCHEMBL353139 0.79 KDM4E (0.60) KDM4EKMT2AMLYCDLMNAHTT
SCHEMBL434252 0.78 ALDH1A1 (0.59) KDM4EKMT2AMLYCDHTTCYP1A2
SCHEMBL22531823 0.78 MLYCD (0.57) KDM4EKMT2AMLYCDPOLBSMN1; SMN2
SCHEMBL1012521 0.78 MLYCD (0.57) KDM4EKMT2AMLYCDLMNAPOLB
Hydrochloric Acid SCHEMBL7476159 0.78 MLYCD (0.53) KDM4EKMT2AMLYCDLMNANAPRT
SCHEMBL870352 0.78 MLYCD (0.57) KMT2AMLYCDLMNAHTTSMN1; SMN2
SCHEMBL1303906 0.78 MLYCD (0.57) KMT2AMLYCDLMNAHTTSMN1; SMN2
SCHEMBL2507311 0.78 HCAR2 (0.46) KDM4EKMT2AMLYCDCYP1A2CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 179 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250186433-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF EPIVARIO, INC. 2025-06-12 — — US disclosed
EP-4472974-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Schrödinger, Inc. (US) 2024-12-11 — — EP disclosed
US-12133852-B2 ACSS2 inhibitors and methods of use thereof EPIVARIO, INC. (US) 2024-11-05 — — US disclosed
US-20240279221-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHROEDINGER INC (US) 2024-08-22 — — US disclosed
EP-4346815-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Schrödinger, Inc. (US) 2024-04-10 — — EP disclosed
US-20230348424-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHRÖDINGER, INC. 2023-11-02 — — US disclosed
US-20230348424-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHRÖDINGER, INC. 2023-11-02 — — US disclosed
WO-2023150291-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHRÖDINGER, INC. (US) 2023-08-10 — — WO disclosed
WO-2023150291-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHRÖDINGER, INC. (US) 2023-08-10 — — WO disclosed
US-20230131535-A1 ARYLMETHYLENE AROMATIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-04-27 — — US disclosed
EP-1507756-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2005-02-23 — — EP disclosed
US-20050010051-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol AVENTIS PHARMACEUTICALS INC. (US) 2005-01-13 — — US disclosed
WO-2004101549-A1 2-ANILINO-4-(IMIDAZOL-5-YL)-PYRIMIDINE DERIVATIVES AND THEIR USE AS CDK (CDK2) INHIBITORS ASTRAZENECA AB (SE) 2004-11-25 — — WO disclosed
US-20040210061-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl) ethyl]-4-piperidinemethanol AVENTIS PHARMACEUTICALS INC. 2004-10-21 — — US disclosed
US-6713627-B2 FOR RECEPTOR ANTAGONISTS IN TREATMENT OF SCHIZOLPHRENIA, ANXIETY, VARIANT ANGINA, ANOREXIA VERVOSA, RAYNAUD'S PHENOMENON, INTERMITTENT CLAUDICATION, CORONARY OR PERIPHERAL VASOSPASMS, FIBROMYALGIA, CARDIAC ARRHYTHMIA'S, AND THROMBOSIS AVENTIS PHARMACEUTICALS INC. 2004-03-30 — — US disclosed
US-20040038976-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-02-26 — — US disclosed
WO-2003099773-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-04 — — WO disclosed
US-20020151717-A1 Novel processes for the preparation or (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol AVENTISUB II INC. 2002-10-17 — — US disclosed
EP-1192134-A2 PROCESSES FOR THE PREPARATION OF (R)-G(A)-(2,3-DIMETHOXYPHENYL)-1-(2-(4-FLUOROPHENYL)ETHYL)-4-PIPERIDINEMETHANOL Aventis Pharmaceuticals Inc. (US) 2002-04-03 — — EP disclosed
WO-1999046245-A2 PROCESSES FOR THE PREPARATION OF (R)-α- (2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL AVENTIS PHARMACEUTICALS INC. (US) 1999-09-16 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250186433-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ADSS2 KDM4E 2609/4885KMT2A 1401/4885MLYCD 286/4885
US-20020151717-A1 Novel processes for the preparation or (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol CYP2E1, ADRM1, CBR1 KDM4E 1566/4885KMT2A 2927/4885MLYCD 1181/4885
US-20230348424-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE APC, RCC2, CDC37 KDM4E 4187/4885KMT2A 4685/4885MLYCD 1650/4885
US-20240279221-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE APC, RCC2, CDC37 KDM4E 4187/4885KMT2A 4685/4885MLYCD 1650/4885
US-20230131535-A1 ARYLMETHYLENE AROMATIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNK3 KDM4E 217/4885KMT2A 245/4885MLYCD 3573/4885
US-20040038976-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 KDM4E 3799/4885KMT2A 4473/4885MLYCD 4858/4885
US-12133852-B2 ACSS2 inhibitors and methods of use thereof ACSS2, GLS2, ADSS2 KDM4E 2609/4885KMT2A 1401/4885MLYCD 286/4885
US-20040210061-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl) ethyl]-4-piperidinemethanol CYP2E1, ADRM1, CYP1A1 KDM4E 1551/4885KMT2A 2996/4885MLYCD 944/4885
US-20050010051-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol CYP2E1, CYP1A1, ADRM1 KDM4E 1289/4885KMT2A 2559/4885MLYCD 994/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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