SCHEMBL2178931

SCHEMBL2178931

C1=CCN(Cc2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.68
SIGMAR1 Q99720 3/20 0.59
MC4R P32245 1/20 0.50
POLB P06746 2/20 0.48
DRD4 P21917 1/20 0.48
LMNA P02545 1/20 0.48
OPRL1 P41146 1/20 0.47
ACHE P22303 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BCHE P06276 1/20 0.46
BACE1 P56817 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL12535945 0.90 SIGMAR1 (0.74) MAOASIGMAR1MC4RPOLBDRD4
SCHEMBL1639608 0.85 SIGMAR1 (0.65) MAOASIGMAR1MC4RPOLBDRD4
SCHEMBL12259888 0.83 SIGMAR1 (0.53) MAOASIGMAR1MC4RPOLBDRD4
SCHEMBL21812111 0.82 SIGMAR1 (0.57) MAOASIGMAR1MC4RPOLBDRD4
SCHEMBL159371 0.82 SIGMAR1 (0.61) MAOASIGMAR1MC4RPOLBDRD4
SCHEMBL8544175 0.81 MAOA (1.00) MAOASIGMAR1ACHE
SCHEMBL10733638 0.81 MAOA (0.47) MAOADRD4ACHEBCHEBACE1
SCHEMBL7231784 0.81 ALDH1A1 (0.56) MAOASIGMAR1LMNAALDH1A1
SCHEMBL10729859 0.81 ALDH1A1 (0.55) MAOAPOLBLMNAACHEALDH1A1
SCHEMBL4591437 0.81 ALDH1A1 (0.53) MAOAPOLBLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4645771-A ANTICOAGULANT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-24 US claimed
EP-0004727-B1 BLOOD PLATELET AGGREGATION INHIBITORY PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND PROCESSES FOR THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-08-12 EP claimed
EP-0004727-A2 Blood platelet aggregation inhibitory pyridine derivatives, pharmaceutical compositions thereof, and processes for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-10-17 EP claimed
EP-4076459-B1 PRMT5 INHIBITORS MERCK SHARP & DOHME LLC (US) 2026-04-29 EP disclosed
US-12595248-B2 PRMT5 inhibitors MERCK SHARP & DOHME LLC (US) 2026-04-07 US disclosed
US-12595262-B2 PRMT5 inhibitors MERCK SHARP & DOHME LLC (US) 2026-04-07 US disclosed
US-20240245670-A1 DOSING REGIMEN AND PHARMACEUTICAL COMBINATION COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES NOVARTIS AG (CH) 2024-07-25 US disclosed
CN-115087638-B PRMT5 inhibitors 默沙东公司 2023-11-24 CN disclosed
US-20230349869-A1 METHODS AND SYSTEMS FOR OPIOID DETECTION NAT TECH & ENG SOLUTIONS SANDIA LLC (US) 2023-11-02 US disclosed
US-11733217-B1 Methods and systems for opioid detection NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2023-08-22 US disclosed
US-20230108114-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-04-06 US disclosed
EP-0163238-A2 Substituted and bridged pyridines useful as pharmaceutical agents MERCK & CO. INC. (US) 1985-12-04 EP disclosed
EP-0004727-B1 BLOOD PLATELET AGGREGATION INHIBITORY PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND PROCESSES FOR THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-08-12 EP disclosed
US-4267183-A Tetrahydropyridine derivative IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-05-12 US disclosed
EP-0004726-B1 BLOOD PLATELET AGGREGATION INHIBITORY TETRAHYDROPYRIDINE DERIVATIVE, PHARMACEUTICAL COMPOSITIONS THEREOF AND PROCESSES FOR ITS MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-28 EP disclosed
US-4238488-A ANTICOAGULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-12-09 US disclosed
US-4225602-A Tetrahydropyridine derivative useful for inhibiting blood platelet aggregation IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-09-30 US disclosed
EP-0004727-A2 Blood platelet aggregation inhibitory pyridine derivatives, pharmaceutical compositions thereof, and processes for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-10-17 EP disclosed
EP-0004727-A2 Blood platelet aggregation inhibitory pyridine derivatives, pharmaceutical compositions thereof, and processes for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-10-17 EP disclosed
EP-0004726-A1 Blood platelet aggregation inhibitory tetrahydropyridine derivative, pharmaceutical compositions thereof and processes for its manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-10-17 EP 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 (4 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-12595248-B2 PRMT5 inhibitors PRMT5, PRMT1, PRMT6 MAOA 4536/4885SIGMAR1 918/4885MC4R 4020/4885
US-20240245670-A1 DOSING REGIMEN AND PHARMACEUTICAL COMBINATION COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES IKZF1, IKZF2, IKZF3 MAOA 4656/4885SIGMAR1 3822/4885MC4R 3283/4885
US-12595262-B2 PRMT5 inhibitors PRMT1, PRMT5, CARM1 MAOA 4799/4885SIGMAR1 1286/4885MC4R 3389/4885
US-20230108114-A1 PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 MAOA 4350/4885SIGMAR1 3301/4885MC4R 4058/4885

“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.