SCHEMBL300437

SCHEMBL300437

CCc1ccc(N2CCNCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 8/20 0.62
HTR3E A5X5Y0 3/20 0.57
HTR3B O95264 3/20 0.57
HTR3A P46098 3/20 0.57
HTR3D Q70Z44 3/20 0.57
HTR3C Q8WXA8 3/20 0.57
SIGMAR1 Q99720 3/20 0.57
ADRB2 P07550 1/20 0.52
NCF1 P14598 1/20 0.52
PLD1 Q13393 1/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
LTA4H P09960 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
CETP P11597 1/20 0.48
KHK P50053 1/20 0.47
HTR6 P50406 1/20 0.46

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
Hydrochloric Acid SCHEMBL27739620 0.98 ADRB1 (0.60) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL11555537 0.98 ADRB1 (0.60) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5237317 0.93 ADRB1 (0.55) ADRB1HTR3EHTR3BHTR3AHTR3D
Acetic Acid Methyl Ester SCHEMBL27846699 0.86 ADRB1 (0.51) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL28758087 0.85 KDM4E (0.61) NCF1KDM4ENPC1RAB9AALDH1A1
SCHEMBL3637251 0.85 ADRB1 (0.58) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5458464 0.83 MAPT (0.56) KDM4ENPC1RAB9AALDH1A1TSHR
SCHEMBL5570604 0.82 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3716245 0.82 CETP (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL24715763 0.81 KDM4E (0.57) NCF1KDM4ENPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119751410-A Method for thoroughly reducing aromatic oxide 郑州大学 2025-04-04 CN disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists SAINT LOUIS UNIVERSITY (US) 2023-07-25 US disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
US-20230135635-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME Sanford Burnham Prebys Medical Discovery Institute 2023-05-04 US disclosed
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-21 US disclosed
US-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2023-02-09 US disclosed
US-20230000994-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES YALE UNIVERSITY 2023-01-05 US disclosed
US-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 US disclosed
US-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-06-02 US disclosed
EP-0913397-A1 A proces for the synthesis of 1-(4-Arylpiperazine-1-y1)-3-(2-oxypyrrolidin/piperidin-1-y1) propanes as therapeutic agents for hypertension, ischemia, cardiovascular and other adrenergic receptors related disorders Council of Scientific and Industrial Research (IN) 1999-05-06 EP disclosed
EP-0911330-A1 1-(4-Arylpiperazine-1-y1)-3-(2-oxopyrrolidin/piperidin-1-y1) propanes as therapeutic agents for hypertension, ischemia, cardiovascular and other adrenergic receptors related disorders Council of Scientific & Industrial Research (IN) 1999-04-28 EP disclosed
EP-0836599-A1 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES PHARMACIA & UPJOHN COMPANY (US) 1998-04-22 EP disclosed
WO-1997002259-A1 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES PHARMACIA & UPJOHN COMPANY (US) 1997-01-23 WO disclosed
EP-0114374-B1 SUBSTITUTED 4-AMINOMETHYLENE CHROMANS OR CHROMENES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1986-07-23 EP disclosed
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
EP-0114374-A1 Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines BAYER AG (DE) 1984-08-01 EP disclosed
US-4077958-A ANTIDEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4007191-A ANTIDEPRESSANT E. R. SQUIBB & SONS, INC. (US) 1977-02-08 US disclosed
US-3940397-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-02-24 US 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-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists P2RY14, P2RY4, P2RY13 ADRB1 495/4885HTR3E 518/4885HTR3B 236/4885
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists P2RY14, P2RY1, P2RY13 ADRB1 181/4885HTR3E 469/4885HTR3B 415/4885
US-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 ADRB1 4505/4885HTR3E 3475/4885HTR3B 4003/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN ADRB1 3894/4885HTR3E 3478/4885HTR3B 3806/4885
US-20230135635-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME ULK2, ULK1, ULK3 ADRB1 4566/4885HTR3E 3663/4885HTR3B 3844/4885
US-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR ADRB1 1775/4885HTR3E 3041/4885HTR3B 2920/4885
US-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, VHL ADRB1 4745/4885HTR3E 1768/4885HTR3B 3060/4885
US-20230000994-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES CRBN, ARAF, VHL ADRB1 3699/4885HTR3E 4021/4885HTR3B 4339/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 ADRB1 1388/4885HTR3E 2151/4885HTR3B 1245/4885

“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.