SCHEMBL761955

SCHEMBL761955

O=S1(=O)CC2(CCNCC2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 9/20 0.39
OPRM1 P35372 2/20 0.36
PLCG1 P19174 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
BACE1 P56817 1/20 0.35
HTR2A P28223 2/20 0.34
DRD2 P14416 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33

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
SCHEMBL13085672 0.78 CCR5 (0.49) CCR5SIGMAR1HTR2AHTR2C
SCHEMBL7673190 0.71 OPRM1 (0.47) OPRM1PLCG1SIGMAR1BACE1HTR2A
SCHEMBL10300869 0.68 PLCG1 (0.36) CCR5PLCG1BACE1MEN1KMT2A
SCHEMBL394558 0.67 HRH3 (0.41) OPRM1SIGMAR1BACE1HTR2ADRD2
Hydrochloric Acid SCHEMBL2101720 0.66 HRH3 (0.41) OPRM1SIGMAR1BACE1HTR2ADRD2
SCHEMBL2514647 0.66 BACE1 (0.38) OPRM1SIGMAR1BACE1HTR2ADRD2
SCHEMBL12017681 0.64 HTR2A (0.47) OPRM1SIGMAR1HTR2ADRD2SLC6A2
SCHEMBL1203798 0.64 MAPKAPK2 (0.45) BACE1
SCHEMBL17605306 0.63 TSHR (0.50)
SCHEMBL349613 0.63 BACE1 (0.40) OPRM1PLCG1SIGMAR1BACE1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220223-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2004-11-04 US claimed
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2002-04-25 US claimed
US-6291672-B1 FOR THE PREPARATION OF DRUGS USEFUL IN THERAPY OF PSYCHIATRIC DISEASES, DISEASES OF PSYCHOSOMATIC ORIGIN, HYPERTENSION SANOFI-SYNTHELABO (FR) 2001-09-18 US claimed
US-8138342-B2 11β-hydroxysteroid dehydrogenase type 1 active spiro compounds High Point Pharmacueticals, LLC (US) 2012-03-20 US disclosed
US-8138342-B2 11β-hydroxysteroid dehydrogenase type 1 active spiro compounds High Point Pharmacueticals, LLC (US) 2012-03-20 US disclosed
US-20090105289-A1 11beta-hydroxysteroid dehydrogenase type 1 active spiro compounds NOVO NORDISK A/S (DK) 2009-04-23 US disclosed
US-20090105289-A1 11beta-hydroxysteroid dehydrogenase type 1 active spiro compounds NOVO NORDISK A/S (DK) 2009-04-23 US disclosed
US-20040220223-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2004-11-04 US disclosed
US-6710042-B2 PIPERIDINE DERIVATIVES; TREATMENT OF PSYCHOLOGICAL DISORDERS SANOFI-SYNTHELABO (FR) 2004-03-23 US disclosed
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2002-04-25 US disclosed
US-6291672-B1 FOR THE PREPARATION OF DRUGS USEFUL IN THERAPY OF PSYCHIATRIC DISEASES, DISEASES OF PSYCHOSOMATIC ORIGIN, HYPERTENSION SANOFI-SYNTHELABO (FR) 2001-09-18 US disclosed
US-6028082-A FOR TRATING PSYCHOLOGICAL DISORDERS SANOFI-SYNTHELABO (FR) 2000-02-22 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 (3 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-20040220223-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 CCR5 135/4885OPRM1 252/4885PLCG1 4061/4885
US-20090105289-A1 11beta-hydroxysteroid dehydrogenase type 1 active spiro compounds HSD11B1, HSD3B1, HSD17B1 CCR5 3772/4885OPRM1 2522/4885PLCG1 3636/4885
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 CCR5 135/4885OPRM1 252/4885PLCG1 4061/4885

“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.