SCHEMBL6544366

SCHEMBL6544366

O=C1CCCC(CCCOC2CCCCO2)(c2ccc(Cl)c(Cl)c2)CN1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 12/20 0.38
SLC6A4 P31645 10/20 0.38
SLC6A2 P23975 8/20 0.38
TACR1 P25103 5/20 0.38
CYP2D6 P10635 1/20 0.37
TACR2 P21452 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7764201 0.95 TACR1 (0.40) SLC6A3SLC6A4SLC6A2TACR1CYP2D6
SCHEMBL7766689 0.94 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2TACR1CYP2D6
SCHEMBL6950573 0.90 TACR1 (0.39) SLC6A3SLC6A4SLC6A2TACR1CYP2D6
SCHEMBL7956526 0.90 MEN1 (0.38) SLC6A3SLC6A4SLC6A2TACR1TACR2
SCHEMBL8290900 0.85 SLC6A4 (0.55) SLC6A3SLC6A4SLC6A2CYP2D6
SCHEMBL4630820 0.84 MEN1 (0.39) SLC6A3SLC6A4SLC6A2TACR1TACR2
SCHEMBL7751548 0.84 SLC6A4 (0.56) SLC6A3SLC6A4SLC6A2CYP2D6
SCHEMBL7947168 0.84 SLC6A2 (0.48) SLC6A3SLC6A4SLC6A2CYP2D6
SCHEMBL7765670 0.84 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2TACR1CYP2D6
SCHEMBL14144423 0.82 MEN1 (0.36) TACR1TACR2MEN1KMT2A

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 SLC6A3 241/4885SLC6A4 1272/4885SLC6A2 1008/4885
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 SLC6A3 241/4885SLC6A4 1272/4885SLC6A2 1008/4885

“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.