SCHEMBL6544458

SCHEMBL6544458

CCOC(=O)CCCC(C#N)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
FFAR1 O14842 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CCR1 P32246 1/20 0.35

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
SCHEMBL11819397 0.85 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4SMN1; SMN2TSHR
SCHEMBL7761458 0.82 SLC6A3 (0.38) SLC6A3SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL9705564 0.81 CYP3A4 (0.49) SMN1; SMN2ALDH1A1CYP4F2CYP4A11CYP3A4
SCHEMBL5425808 0.79 L3MBTL1 (0.46) TSHRL3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL11563238 0.78 CCR1 (0.42) SMN1; SMN2TSHRL3MBTL1ALDH1A1LMNA
SCHEMBL7835269 0.78 HDAC1 (0.46) SLC6A3SLC6A2SLC6A4ALDH1A1FFAR1
SCHEMBL11263337 0.78 SMN1; SMN2 (0.45) SMN1; SMN2TSHRL3MBTL1HTTALDH1A1
SCHEMBL11849209 0.76 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4TSHRL3MBTL1
SCHEMBL10980880 0.76 LMNA (0.39) SLC6A3SLC6A2SLC6A4SMN1; SMN2HTT
SCHEMBL6122435 0.75 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4SMN1; SMN2HTT

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
US-6028082-A FOR TRATING PSYCHOLOGICAL DISORDERS SANOFI-SYNTHELABO (FR) 2000-02-22 US disclosed
US-5859029-A TREATING SUBSTANCE P-DEPENDENT PATHOLOGICAL CONDITIONS SANOFI (FR) 1999-01-12 US disclosed
US-5656639-A POSSESS STRONG AFFINITY FOR NK1 RECEPTORS; USEFUL IN TREATMENT OF SUBSTANCE P-DEPENDENT PATHOLOGICAL CONDITIONS SANOFI (FR) 1997-08-12 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 (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 241/4885SLC6A2 1008/4885SLC6A4 1272/4885
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 SLC6A3 241/4885SLC6A2 1008/4885SLC6A4 1272/4885

“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.