SCHEMBL4919198

SCHEMBL4919198

COc1ccc(CCC(=O)N(Cc2ccccc2OC)C2CCNCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.52
▸ MBTPS1 Q14703 5/20 0.51
▸ F10 P00742 1/20 0.51
▸ PLAU P00749 1/20 0.51
▸ SLC6A2 P23975 7/20 0.49
▸ SLC6A4 P31645 7/20 0.49
▸ SLC6A3 Q01959 5/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ KCNH2 Q12809 2/20 0.47
▸ RPLP1 P05386 1/20 0.47
▸ RPLP0 P05388 1/20 0.47
▸ RPS17 P08708 1/20 0.47
▸ RPSA P08865 1/20 0.47
▸ RPS2 P15880 1/20 0.47
▸ RPL35A P18077 1/20 0.47
▸ RPL7 P18124 1/20 0.47
▸ RPL17 P18621 1/20 0.47
▸ RPS4Y1 P22090 1/20 0.47
▸ RPS3 P23396 1/20 0.47
▸ RPS12 P25398 1/20 0.47

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
SCHEMBL6394396 0.93 TACR1 (0.50) TACR1MBTPS1F10PLAUSLC6A2
SCHEMBL340465 0.90 SLC6A2 (0.51) TACR1MBTPS1F10PLAUSLC6A2
SCHEMBL4912849 0.83 ALOX5 (0.52) TACR1MBTPS1SLC6A2SLC6A4SLC6A3
SCHEMBL4210498 0.82 MBTPS1 (0.59) MBTPS1F10PLAUSLC6A2SLC6A4
SCHEMBL339372 0.78 TACR1 (0.57) TACR1MBTPS1SLC6A2SLC6A4SLC6A3
SCHEMBL339220 0.75 TACR1 (0.61) TACR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL341939 0.74 ALOX5 (0.60) MBTPS1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL341134 0.74 SLC6A2 (0.53) TACR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL339704 0.73 TACR1 (0.55) TACR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL340969 0.73 ALOX5 (0.55) MBTPS1SLC6A2SLC6A4SLC6A3KCNH2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765053-B2 Methods of treatment using selective 5-HT2A inverse agonists ACADIA PHARMACEUTICALS INC. (US) 2017-09-19 — — US disclosed
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS ANDERSSON CARL-MAGNUS A (DK) 2017-06-15 — — US disclosed
US-20160237036-A1 AZACYCLIC COMPOUNDS ACADIA PHARM INC (US) 2016-08-18 — — US disclosed
US-9296694-B2 Azacyclic compounds ACADIA PHARMACEUTICALS INC. (US) 2016-03-29 — — US disclosed
US-20150259291-A1 AZACYCLIC COMPOUNDS ACADIA PHARMACEUTICALS INC. 2015-09-17 — — US disclosed
US-20110301191-A1 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS ANDERSSON CARL-MAGNUS A (DK) 2011-12-08 — — US disclosed
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS INC. 2008-02-28 — — US disclosed
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction ACADIA PHARMACEUTICALS, INC. 2006-08-31 — — US disclosed
US-20060194834-A1 Azacyclic compounds ACADIA PHARMACEUTICALS, INC. 2006-08-31 — — US disclosed
US-6815458-B2 NERVOUS SYSTEM DISORDERS ACADIA PHARMACEUTICALS, INC 2004-11-09 — — US disclosed
US-6756393-B2 AMIDES AND UREAS N-SUBSTITUTED WITH PIPERIDINE OR NORTROPANE; SEROTONIN INVERSE AGONISTS OR ANTAGONISTS; ANTIPSYCHOTIC ACADIA PHARMACEUTICALS, INC. 2004-06-29 — — US disclosed
US-20030220316-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2003-11-27 — — US disclosed
US-20020004513-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2002-01-10 — — 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-20150259291-A1 AZACYCLIC COMPOUNDS HTR6, TPMT, HNMT TACR1 124/4885MBTPS1 1883/4885F10 4788/4885
US-20110301191-A1 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B TACR1 147/4885MBTPS1 2026/4885F10 4099/4885
US-20060194834-A1 Azacyclic compounds HTR6, HTR5A, HNMT TACR1 116/4885MBTPS1 1389/4885F10 4693/4885
US-20030220316-A1 Azacyclic compounds HTR6, TPMT, HNMT TACR1 124/4885MBTPS1 1883/4885F10 4788/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT TACR1 124/4885MBTPS1 1883/4885F10 4788/4885
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS HTR4, HTR3B, HTR2A TACR1 137/4885MBTPS1 444/4885F10 4543/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B TACR1 147/4885MBTPS1 2026/4885F10 4099/4885
US-20160237036-A1 AZACYCLIC COMPOUNDS HTR6, TPMT, HNMT TACR1 124/4885MBTPS1 1883/4885F10 4788/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B TACR1 66/4885MBTPS1 1286/4885F10 4092/4885

“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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