SCHEMBL2770107

SCHEMBL2770107

CC(C)COc1ccc(CN2C(=O)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2Cc2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.39
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
KDM1A O60341 1/20 0.38
HTR2C P28335 2/20 0.37
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37
ADRB2 P07550 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37
GPR183 P32249 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37
APLNR P35414 1/20 0.37
DRD3 P35462 1/20 0.37
CX3CR1 P49238 1/20 0.37

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
SCHEMBL6863270 0.90 HTR2A (0.40) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL341805 0.87 HTR2A (0.45) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL2769257 0.87 HTR2A (0.45) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL2768143 0.87 HTR2A (0.45) HTR2AHTR2CABCB11CYP1A2ADRB2
Hydrochloric Acid SCHEMBL3812488 0.86 HTR2A (0.44) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL341175 0.86 HTR2A (0.38) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL340243 0.85 HTR2A (0.40) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL2770608 0.83 HTR2A (0.41) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL341478 0.83 HTR2A (0.38) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL342169 0.83 MEN1 (0.40) HTR2AHTR2CABCB11CYP1A2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727999-B2 substituted 1,3,8-triaza-spiro[4.5]decan-2-one compounds, used as selective serotonin receptor antagonists, used rfor the treatment of schizophrenia, psychosis, headaches, hypertension, thrombosis, vasospasm, depression, anxiety, sleep disorders and appetite disorders ACADIA PHARMACEUTICALS INC. (US) 2010-06-01 US disclosed
EP-1461339-B1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS ACADIA PHARM INC (US) 2010-04-28 EP disclosed
US-20090131418-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS ACADIA PHARAMCEUTICALS, INC. (US) 2009-05-21 US disclosed
US-7511053-B2 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS, INC. (US) 2009-03-31 US disclosed
US-7402590-B2 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. (US) 2008-07-22 US disclosed
US-7351707-B2 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS, INC. (US) 2008-04-01 US disclosed
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS INC. 2008-02-28 US disclosed
WO-2007124136-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2007-11-01 WO disclosed
US-20070161621-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS ACADIA PHARMACEUTICALS (US) 2007-07-12 US disclosed
US-7217719-B2 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. (US) 2007-05-15 US disclosed
US-20060205710-A1 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. 2006-09-14 US disclosed
US-20060199794-A1 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. 2006-09-07 US disclosed
US-20050256108-A1 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. 2005-11-17 US disclosed
US-6911452-B2 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. (US) 2005-06-28 US disclosed
US-20030166928-A1 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. 2003-09-04 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 (7 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-20050256108-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A HTR2A 4/4885OPRD1 117/4885OPRK1 73/4885
US-20060205710-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A HTR2A 4/4885OPRD1 117/4885OPRK1 73/4885
US-20090131418-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS MAOA, MAOB, HTR5A HTR2A 4/4885OPRD1 117/4885OPRK1 73/4885
US-20030166928-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A HTR2A 4/4885OPRD1 117/4885OPRK1 73/4885
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS HTR4, HTR3B, HTR2A HTR2A 3/4885OPRD1 44/4885OPRK1 74/4885
US-20070161621-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS MAOA, MAOB, HTR5A HTR2A 4/4885OPRD1 117/4885OPRK1 73/4885
US-20060199794-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A HTR2A 4/4885OPRD1 117/4885OPRK1 73/4885

“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.