SCHEMBL1726753

SCHEMBL1726753

CN1CCC2(CC1)C(=O)Cc1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.49
HTR2C P28335 4/20 0.49
SIGMAR1 Q99720 4/20 0.49
HTR2B P41595 3/20 0.49
OPRM1 P35372 4/20 0.43
DRD4 P21917 2/20 0.43
OPRK1 P41145 3/20 0.42
OPRL1 P41146 3/20 0.42
DRD2 P14416 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL14193182 0.85 HTR2A (0.66) HTR2AHTR2CSIGMAR1HTR2BOPRM1
SCHEMBL26990564 0.84 HTR2A (0.39) HTR2AHTR2CSIGMAR1HTR2BOPRM1
SCHEMBL14112082 0.84 CYP2D6 (0.53) HTR2AHTR2CSIGMAR1HTR2BOPRM1
SCHEMBL9558651 0.82 HTR2A (0.51) HTR2AHTR2CSIGMAR1HTR2BOPRM1
SCHEMBL14522924 0.82 HTR2A (0.40) HTR2AHTR2CSIGMAR1HTR2BOPRM1
SCHEMBL3766701 0.81 HTR2A (0.54) HTR2AHTR2CSIGMAR1HTR2BOPRM1
SCHEMBL28513958 0.81 SIGMAR1 (0.48) HTR2AHTR2CSIGMAR1HTR2BOPRM1
SCHEMBL1115424 0.80 HTR2A (0.50) HTR2AHTR2CSIGMAR1HTR2BOPRM1
SCHEMBL30573672 0.77 HTR2A (0.64) HTR2AHTR2CSIGMAR1HTR2BOPRM1
SCHEMBL4330959 0.77 HTR2A (0.64) HTR2AHTR2CSIGMAR1HTR2BOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-20130281476-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 US disclosed
US-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 US disclosed
US-8431700-B2 Alkylsulfonyl-2,3-dihydrospiro[indene-1,4′-piperidine] analogs as GlyT1 inhibitors, methods for making same, and use of same in treating psychiatric disorders VANDERBILT UNIVERSITY (US) 2013-04-30 US disclosed
US-8367691-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-02-05 US disclosed
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-8258148-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-04 US disclosed
EP-2403337-A2 ALKYLSULFONYL-2,3-DIHYDROSPIRO[INDENE-1,4'-PIPERIDINE] ANALOGS AS GLYT1 INHIBITORS, METHODS FOR MAKING SAME, AND USE OF SAME IN TREATING PSYCHIATRIC DISORDERS Vanderbilt University (US) 2012-01-11 EP disclosed
US-7879834-B2 spiro[indoline-3,4'-piperidine] derivatives, used for the treatment of nervous system disorders, chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects, Alzheimer's disiease, obesity or as analgesics and antidepressants VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
US-7858635-B2 Spiro compounds as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
US-20100311720-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
US-20100249167-A1 ALKYLSULFONYL-2,3-DIHYDROSPIRO[INDENE-1,4'-PIPERIDINE] ANALOGS AS GLYT1 INHIBITORS, METHODS FOR MAKING SAME, AND USE OF SAME IN TREATING PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY 2010-09-30 US disclosed
WO-2010102003-A2 ALKYLSULFONYL-2,3-DIHYDROSPIRO[INDENE-1,4'-PIPERIDINE] ANALOGS AS GLYT1 INHIBITORS, METHODS FOR MAKING SAME, AND USE OF SAME IN TREATING PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY (US) 2010-09-10 WO disclosed
US-7786141-B2 Dihydrospiroindene modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 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 (8 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 HTR2A 1050/4885HTR2C 855/4885SIGMAR1 244/4885
US-20130281476-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 HTR2A 199/4885HTR2C 262/4885SIGMAR1 237/4885
US-20100311720-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM4 HTR2A 161/4885HTR2C 181/4885SIGMAR1 280/4885
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS CHRM3, CHRM5, CHRM2 HTR2A 199/4885HTR2C 262/4885SIGMAR1 237/4885
US-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 HTR2A 199/4885HTR2C 262/4885SIGMAR1 237/4885
US-20100249167-A1 ALKYLSULFONYL-2,3-DIHYDROSPIRO[INDENE-1,4'-PIPERIDINE] ANALOGS AS GLYT1 INHIBITORS, METHODS FOR MAKING SAME, AND USE OF SAME IN TREATING PSYCHIATRIC DISORDERS SLC1A2, SLC1A1, SLC1A3 HTR2A 375/4885HTR2C 260/4885SIGMAR1 275/4885
US-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 HTR2A 199/4885HTR2C 262/4885SIGMAR1 237/4885
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 HTR2A 129/4885HTR2C 172/4885SIGMAR1 253/4885

“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.