Sugi Predict

Sugi Predict / Compounds / SCHEMBL2467789

SCHEMBL2467789

SCHEMBL2467789

O=C(OCc1ccccc1)N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ OPRD1 P41143 1/20 0.56
▸ OPRK1 P41145 1/20 0.56
▸ TET3 O43151 1/20 0.55
▸ FBXL19 Q6PCT2 1/20 0.55
▸ CXXC5 Q7LFL8 1/20 0.55
▸ TET1 Q8NFU7 1/20 0.55
▸ KDM2B Q8NHM5 1/20 0.55
▸ CXXC4 Q9H2H0 1/20 0.55
▸ KDM2A Q9Y2K7 1/20 0.55
▸ CYP2C19 P33261 1/20 0.54
▸ HDAC3 O15379 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL17187989 0.92 KMT2A (0.52) KMT2AMEN1NPSR1SMN1; SMN2RAB9A
SCHEMBL3910173 0.91 RORC (0.57) KMT2AMEN1NPSR1SMN1; SMN2RAB9A
SCHEMBL16639868 0.89 SMN1; SMN2 (0.59) KMT2AMEN1NPSR1SMN1; SMN2RAB9A
SCHEMBL3901930 0.89 OPRD1 (0.56) KMT2AMEN1NPSR1SMN1; SMN2RAB9A
SCHEMBL4631143 0.89 OPRD1 (0.53) KMT2AMEN1NPSR1SMN1; SMN2RAB9A
SCHEMBL2918643 0.86 OPRM1 (0.50) KMT2AMEN1NPSR1SMN1; SMN2RAB9A
SCHEMBL18204368 0.86 MEN1 (0.54) KMT2AMEN1NPSR1SMN1; SMN2RAB9A
SCHEMBL2468207 0.85 ALDH1A1 (0.60) KMT2AMEN1NPSR1SMN1; SMN2RAB9A
SCHEMBL7556949 0.84 CHRM4 (0.61) KMT2AMEN1NPSR1SMN1; SMN2RAB9A
SCHEMBL6161497 0.84 TSHR (0.51) KMT2AMEN1NPSR1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024096-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER C4 THERAPEUTICS, INC. 2023-01-26 — — US disclosed
US-20230002367-A1 BIFUNCTIONAL COMPOUNDS C4 THERAPEUTICS, INC. 2023-01-05 — — US disclosed
US-20230002367-A1 BIFUNCTIONAL COMPOUNDS C4 THERAPEUTICS, INC. 2023-01-05 — — US disclosed
EP-4054724-A1 BIFUNCTIONAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2022-09-14 — — EP disclosed
EP-4051674-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2022-09-07 — — EP disclosed
CN-114728936-A Bifunctional compounds for the treatment of cancer 豪夫迈·罗氏有限公司 2022-07-08 — — CN disclosed
CN-114599428-A Bifunctional compounds 豪夫迈·罗氏有限公司 2022-06-07 — — CN disclosed
WO-2021086785-A1 BIFUNCTIONAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-05-06 — — WO disclosed
WO-2021083949-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2021-05-06 — — WO disclosed
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 — — EP disclosed
US-5977359-A Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 1999-11-02 — — US disclosed
US-5965580-A TREATMENT OF SUBSTANCE P- AND NEUROKININ-DEPENDENT DISORDERS SANOFI (FR) 1999-10-12 — — US disclosed
US-5939411-A PIPERIDINE DERIVATIVES SUBSTITUTED AT POSITION 4 WITH NEW FUNCTIONS OTHER THAN THOSE DESCRIBED PREVIOUSLY HAVE A HIGH AFFINITY FOR NEUROKININ RECEPTORS AND ARE USEFUL FOR TREATMENT OF SUBSTANCE P AND NEUROKININ DEPENDENT PATHOLOGIES SANOFI (FR) 1999-08-17 — — US disclosed
US-5869663-A INTERMEDIATES FOR NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1999-02-09 — — US disclosed
US-5830906-A Piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them SANOFI (FR) 1998-11-03 — — US disclosed
US-5780466-A DISORDERS ASSOCIATED WITH EXCESS TACHYKININS AND ALL NEUROKININ-DEPENDENT DISORDERS; ANALGESICS; RESPIRATORY, GASTROINTESTINAL, UROGENTIAL, IMMUNE, CARDIOVASCULAR AND CNS DISORDERS SANOFI (FR) 1998-07-14 — — US disclosed
EP-0807111-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1997-11-19 — — EP disclosed
US-5641777-A NEUROKININ RECEPTOR ANTAGONIST SANOFI (FR) 1997-06-24 — — US disclosed
WO-1997010211-A1 NOVEL HUMAN NK3 RECEPTOR-SELECTIVE ANTAGONIST COMPOUNDS, METHOD FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1997-03-20 — — WO disclosed
WO-1996023787-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1996-08-08 — — 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 (2 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-20230024096-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER SMARCC1, SMARCC2, SMARCA2 KMT2A 209/4885MEN1 1908/4885NPSR1 4581/4885
US-20230002367-A1 BIFUNCTIONAL COMPOUNDS ITCH, EGFR, MUC1 KMT2A 3390/4885MEN1 129/4885NPSR1 578/4885

“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.