SCHEMBL6543289

SCHEMBL6543289

O=C(OC1(c2ccccc2)CCN(Cc2ccccc2)CC1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.55
CHRM2 P08172 1/20 0.54
CHRM3 P20309 1/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
DRD3 P35462 2/20 0.50
CYP2D6 P10635 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
CYP3A4 P08684 3/20 0.48
USP2 O75604 1/20 0.48
KDM4E B2RXH2 2/20 0.48
OPRM1 P35372 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 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
SCHEMBL5698830 0.85 OPRL1 (0.56) OPRL1CHRM2CHRM3POLBALDH1A1
SCHEMBL19717856 0.83 DRD3 (0.64) OPRL1CHRM2CHRM3POLBALDH1A1
SCHEMBL8591800 0.80 CHRM2 (0.53) OPRL1CHRM2CHRM3POLBALDH1A1
SCHEMBL24944286 0.79 CHKA (0.48) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL11624765 0.78 DRD3 (0.81) CHRM2CHRM3POLBALDH1A1MEN1
SCHEMBL10687586 0.78 LMNA (0.50) POLBALDH1A1MEN1KMT2AMAPK1
SCHEMBL8623458 0.77 DRD2 (0.61) CHRM2CHRM3POLBALDH1A1MEN1
SCHEMBL8220836 0.77 OPRL1 (0.56) OPRL1CHRM2CHRM3POLBALDH1A1
SCHEMBL27593585 0.76 LMNA (0.48) MEN1KMT2ALMNADRD3CYP2D6
SCHEMBL11155399 0.76 OPRL1 (0.58) OPRL1POLBALDH1A1MEN1KMT2A

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 11 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 disclosed
US-6710042-B2 PIPERIDINE DERIVATIVES; TREATMENT OF PSYCHOLOGICAL DISORDERS SANOFI-SYNTHELABO (FR) 2004-03-23 US disclosed
EP-1241168-A1 Human NK3 receptor-selective antagonist compounds, process for their obtention and pharmaceutical compositons containing them SANOFI-SYNTHELABO (FR) 2002-09-18 EP 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
EP-1019373-A1 NOVEL HUMAN NK 3? RECEPTOR-SELECTIVE ANTAGONIST COMPOUNDS, METHOD FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2000-07-19 EP disclosed
US-6028082-A FOR TRATING PSYCHOLOGICAL DISORDERS SANOFI-SYNTHELABO (FR) 2000-02-22 US disclosed
US-5965580-A TREATMENT OF SUBSTANCE P- AND NEUROKININ-DEPENDENT DISORDERS SANOFI (FR) 1999-10-12 US disclosed
US-5939411-A PIPERIDINE DERIVATIVES SUBSTITUTED AT POSITION 4 WITH NEW FUNCTIONS OTHER THAN THOSE DESCRIBED PREVIOUSLY HAVE A HIGH AFFINITY FOR NEUROKININ RECEPTORS AND ARE USEFUL FOR TREATMENT OF SUBSTANCE P AND NEUROKININ DEPENDENT PATHOLOGIES SANOFI (FR) 1999-08-17 US disclosed
US-5830906-A Piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them SANOFI (FR) 1998-11-03 US disclosed
WO-1997010211-A1 NOVEL HUMAN NK3 RECEPTOR-SELECTIVE ANTAGONIST COMPOUNDS, METHOD FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1997-03-20 WO 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 (2 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 OPRL1 133/4885CHRM2 1090/4885CHRM3 171/4885
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 OPRL1 133/4885CHRM2 1090/4885CHRM3 171/4885

“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.