SCHEMBL6543201

SCHEMBL6543201

O=C(c1ccccc1)N1CCCCC(CCCO)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 16/20 0.66
TACR1 P25103 14/20 0.66
TACR3 P29371 8/20 0.66
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
CCR5 P51681 2/20 0.59
EPHX2 P34913 1/20 0.51
HRH1 P35367 1/20 0.46

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
SCHEMBL6544551 0.97 TACR2 (0.69) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL7132390 0.97 TACR2 (0.69) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL6950742 0.90 TACR2 (0.66) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL7088860 0.88 TACR2 (0.68) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL7088856 0.88 TACR2 (0.68) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL7315837 0.87 TACR2 (0.57) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL8640738 0.86 TACR2 (0.67) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL6954575 0.86 TACR2 (0.67) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL7751540 0.86 TACR2 (0.61) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL6543332 0.84 TACR2 (0.64) TACR2TACR1TACR3CYP3A4CYP2D6

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 7 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
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
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 TACR2 1/4885TACR1 14/4885TACR3 9/4885
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 TACR2 1/4885TACR1 14/4885TACR3 9/4885

“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.