SCHEMBL10034840

SCHEMBL10034840

Cc1ccc(C(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.91
CHRM1 P11229 4/20 0.91
HTR1A P08908 3/20 0.91
DRD2 P14416 3/20 0.91
HTR2A P28223 3/20 0.91
DRD3 P35462 3/20 0.91
KCNH2 Q12809 3/20 0.91
CYP2D6 P10635 3/20 0.91
ADRA1A P35348 3/20 0.91
MLNR O43193 2/20 0.91
LMNA P02545 2/20 0.91
PGR P06401 2/20 0.91
ADRB2 P07550 2/20 0.91
CHRM2 P08172 2/20 0.91
ADRB1 P08588 2/20 0.91
ADRA2A P08913 2/20 0.91
ADRA2B P18089 2/20 0.91
ADRA2C P18825 2/20 0.91
DRD1 P21728 2/20 0.91
DRD4 P21917 2/20 0.91

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
Pimozide SCHEMBL14127068 0.95 DRD2 (1.00) OPRM1CHRM1HTR1ADRD2HTR2A
Pimozide SCHEMBL41584 0.95 DRD2 (1.00) OPRM1CHRM1HTR1ADRD2HTR2A
Pimozide SCHEMBL29381325 0.95 DRD2 (1.00) OPRM1CHRM1HTR1ADRD2HTR2A
Pimozide SCHEMBL572869 0.94 DRD2 (0.98) OPRM1CHRM1HTR1ADRD2HTR2A
SCHEMBL12863786 0.94 DRD2 (0.98) OPRM1CHRM1HTR1ADRD2HTR2A
Pimozide SCHEMBL29031811 0.94 DRD2 (0.98) OPRM1CHRM1HTR1ADRD2HTR2A
SCHEMBL2615401 0.91 DRD2 (0.75) OPRM1CHRM1HTR1ADRD2HTR2A
SCHEMBL2615398 0.91 DRD2 (0.75) OPRM1CHRM1HTR1ADRD2HTR2A
Pimozide SCHEMBL14894944 0.90 DRD2 (0.89) OPRM1CHRM1HTR1ADRD2HTR2A
SCHEMBL1152218 0.90 OPRM1 (0.76) OPRM1CHRM1HTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230126987-A1 METHODS FOR TREATING CYTOKINE STORM SYNDROME AND RELATED DISEASES GENEROS BIOPHARMA LTD. (KY) 2023-04-27 US disclosed
US-20170050929-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF IN TREATING AUTOPHAGY ASSOCIATED DISEASES PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2017-02-23 US disclosed
US-20140066439-A1 OSTEOCLAST ACTIVITY Katholieke Universiteit Leuen, K.U.Leuven R&D (BE) 2014-03-06 US disclosed
US-20120077705-A1 Methods for Identifying Autophagy Inducing Compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-29 US disclosed
US-20100267704-A1 Autophagy Inducing Compounds and Uses Thereof in Treating Autophagy Associated Diseases President an Fellows of Harvard Colege (US) 2010-10-21 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 (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-20140066439-A1 OSTEOCLAST ACTIVITY CTSA, SQSTM1, BECN1 OPRM1 1958/4885CHRM1 1319/4885HTR1A 4648/4885
US-20230126987-A1 METHODS FOR TREATING CYTOKINE STORM SYNDROME AND RELATED DISEASES IL6, IL2, IL15 OPRM1 3807/4885CHRM1 4657/4885HTR1A 3087/4885
US-20170050929-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF IN TREATING AUTOPHAGY ASSOCIATED DISEASES BECN1, ATG7, SQSTM1 OPRM1 4332/4885CHRM1 4769/4885HTR1A 3673/4885
US-20100267704-A1 Autophagy Inducing Compounds and Uses Thereof in Treating Autophagy Associated Diseases SQSTM1, ATG7, BECN1 OPRM1 4458/4885CHRM1 4787/4885HTR1A 3736/4885

“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.