SCHEMBL52608

SCHEMBL52608

c1ccc(CC2CCC[N]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.54
NOS1 P29475 1/20 0.54
NOS2 P35228 1/20 0.54
TAAR1 Q96RJ0 2/20 0.43
POLB P06746 2/20 0.42
GBA1 P04062 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 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
SCHEMBL5654987 1.00 NOS3 (0.54) NOS3NOS1NOS2TAAR1POLB
SCHEMBL42737 0.94 NOS3 (0.53) NOS3NOS1NOS2TAAR1POLB
SCHEMBL11669399 0.92 NOS3 (0.51) NOS3NOS1NOS2TAAR1POLB
SCHEMBL11669280 0.92 NOS3 (0.51) NOS3NOS1NOS2TAAR1POLB
SCHEMBL1830037 0.85 NOS3 (0.50) NOS3NOS1NOS2TAAR1POLB
SCHEMBL5319456 0.81 TRPA1 (0.42) NOS3NOS1NOS2
SCHEMBL3154456 0.81 SLC18A2 (0.50) NOS3NOS1NOS2TAAR1
SCHEMBL3169399 0.79 PNMT (0.42) TAAR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7286965 0.78 TAAR1 (0.50) TAAR1
SCHEMBL4953597 0.77 TRPA1 (0.44) NOS3NOS1NOS2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024026061-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE BIOGEN MA INC. (US) 2024-02-01 WO claimed
US-10016420-B2 Substituted pyridazines for the treatment of pain INHIBITAXIN LIMITED (GB) 2018-07-10 US claimed
US-20180118721-A1 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-03 US claimed
WO-2015181799-A1 COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS FOUNDATION FOR NEGLECTED DISEASE RESEARCH (IN) 2015-12-03 WO claimed
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP claimed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US claimed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US claimed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP claimed
EP-2280981-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 EP claimed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP claimed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US claimed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 WO claimed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP claimed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US claimed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 WO claimed
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-15 US claimed
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 EP claimed
EP-0543919-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. SEARLE & CO (US) 1993-06-02 EP claimed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 WO claimed
US-4016263-A BACTERICIDES BOEHRINGER INGELHEIM GMBH (DT) 1977-04-05 US claimed

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

For each of this compound's patents that has machine-readable text (5 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-10016420-B2 Substituted pyridazines for the treatment of pain OPRM1, OPRL1, OPRK1 NOS3 884/4885NOS1 2200/4885NOS2 2985/4885
US-20180118721-A1 PYRIMIDINE DERIVATIVES MTHFD1, TYMS, DPYD NOS3 3268/4885NOS1 1942/4885NOS2 2868/4885
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors PDE7A, PDE10A, PDE7B NOS3 495/4885NOS1 302/4885NOS2 766/4885
US-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 NOS3 1446/4885NOS1 799/4885NOS2 686/4885
US-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG NOS3 2940/4885NOS1 2389/4885NOS2 2798/4885

“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.