SCHEMBL6178145

SCHEMBL6178145

COc1ccc(F)cc1C1(O)CCNCC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.68
CCNT1 O60563 7/20 0.52
CDK9 P50750 7/20 0.52
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
HTR2B P41595 2/20 0.44
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
PIN1 Q13526 3/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
DRD2 P14416 1/20 0.38
DPP4 P27487 1/20 0.37

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
SCHEMBL19205409 0.86 SIGMAR1 (0.47) SIGMAR1CCNT1CDK9HTR2AHTR2C
SCHEMBL30368868 0.81 SIGMAR1 (1.00) SIGMAR1HTR2COPRM1OPRD1OPRK1
SCHEMBL5805869 0.81 SIGMAR1 (1.00) SIGMAR1HTR2COPRM1OPRD1OPRK1
SCHEMBL2272271 0.80 SIGMAR1 (0.47) SIGMAR1CCNT1CDK9HTR2AHTR2C
SCHEMBL7225189 0.77 OPRM1 (0.50) SIGMAR1CCNT1CDK9HTR2AHTR2C
SCHEMBL1513381 0.76 DRD2 (0.46) SIGMAR1CCNT1CDK9HTR2CSLC6A2
Hydrochloric Acid SCHEMBL7234121 0.76 SIGMAR1 (0.49) SIGMAR1CCNT1CDK9HTR2AHTR2C
SCHEMBL1513363 0.76 SIGMAR1 (0.46) SIGMAR1CCNT1CDK9HTR2CDRD2
SCHEMBL4702507 0.75 SIGMAR1 (0.45) SIGMAR1CCNT1CDK9HTR2C
SCHEMBL2269119 0.73 SIGMAR1 (0.55) SIGMAR1CCNT1CDK9SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140830-B1 ARYLPIPERIDINE AND ARYL-1,2,5,6-TETRAHYDROPYRIDINE AMIDE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY WYETH CORP (US) 2005-05-04 EP disclosed
US-20040186170-A1 Benzofuran derivatives, pharmaceutical composition containing the same, and a process for the preparation of the active ingredient EGIS GYOGYSZERGYAR (HU) 2004-09-23 US disclosed
US-6503928-B2 Central nervous system disorders; psychological disorders WYETH 2003-01-07 US disclosed
US-20020035263-A1 Novel arylpiperidine and aryl-1,2,5,6-tetrahydropyridine amide derivatives AMERICAN HOME PRODUCTS CORPORATION 2002-03-21 US disclosed
US-6326381-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS AMERICAN HOME PRODUCTS CORPORATION 2001-12-04 US disclosed
EP-1140830-A1 ARYLPIPERIDINE AND ARYL-1,2,5,6-TETRAHYDROPYRIDINE AMIDE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
EP-1140831-A1 ARYLPIPERIDINE AND ARYL-1,2,5,6-TETRAHYDROPYRIDINE UREA DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
US-6239126-B1 ANTAGONISTS OF THE 5HT1A RECEPTOR SUBTYPE. AMERICAN HOME PRODUCTS CORPORATION 2001-05-29 US disclosed
WO-2000035875-A1 ARYLPIPERIDINE AND ARYL-1,2,5,6-TETRAHYDROPYRIDINE UREA DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-22 WO disclosed
WO-2000035874-A1 ARYLPIPERIDINE AND ARYL-1,2,5,6-TETRAHYDROPYRIDINE AMIDE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-22 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-20020035263-A1 Novel arylpiperidine and aryl-1,2,5,6-tetrahydropyridine amide derivatives ADRA1D, ADH1C, HTR1D SIGMAR1 255/4885CCNT1 2029/4885CDK9 881/4885
US-20040186170-A1 Benzofuran derivatives, pharmaceutical composition containing the same, and a process for the preparation of the active ingredient CYP2F1, CYP3A4, CYP2S1 SIGMAR1 721/4885CCNT1 1106/4885CDK9 3296/4885

“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.