SCHEMBL3107997

SCHEMBL3107997

N#CCc1cc(Cl)cc2cc(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.53
AVPR1A P37288 2/20 0.51
HSD11B1 P28845 12/20 0.50
OPRM1 P35372 3/20 0.48
PLD2 O14939 1/20 0.47
PLD1 Q13393 1/20 0.47
HTR1A P08908 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
TACR2 P21452 1/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR1B P28222 1/20 0.47
TSPO P30536 1/20 0.47
ADORA1 P30542 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 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
SCHEMBL3107130 0.80 AVPR1A (0.65) CHRM1AVPR1AHSD11B1OPRM1
SCHEMBL3100321 0.78 PLD2 (0.66) CHRM1HSD11B1PLD2
SCHEMBL3108083 0.78 HSD11B1 (0.64) CHRM1HSD11B1
SCHEMBL3102378 0.77 AVPR1A (0.56) CHRM1AVPR1AHSD11B1OPRM1HTR1A
SCHEMBL3104810 0.77 HSD11B1 (0.66) CHRM1HSD11B1
SCHEMBL2452757 0.76 RBP4 (0.40)
SCHEMBL2454653 0.76 MEN1 (0.52)
SCHEMBL2455054 0.75 HRH4 (0.46)
SCHEMBL3108087 0.74 HSD11B1 (0.55) CHRM1AVPR1AHSD11B1
SCHEMBL3113784 0.73 HSD11B1 (0.71) CHRM1AVPR1AHSD11B1OPRM1HTR1A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071622-B2 1-[1-(6-Methoxy-1H-indole-2-carbonyl)-piperidin-4-yl]-1,3-dihydro-benzoimidazol-2-one; vasopressin receptors antagonist; antidepressant, anxiolytic agent; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMAN-LA ROCHE INC. (US) 2011-12-06 US claimed
EP-2089381-B1 INDOLES WHICH ACT AS VIA RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-06-30 EP claimed
EP-2089381-A1 INDOLES WHICH ACT AS VIA RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-08-19 EP claimed
US-20080139548-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US claimed
WO-2008068184-A1 INDOLES WHICH ACT AS VIA RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO claimed
US-8071622-B2 1-[1-(6-Methoxy-1H-indole-2-carbonyl)-piperidin-4-yl]-1,3-dihydro-benzoimidazol-2-one; vasopressin receptors antagonist; antidepressant, anxiolytic agent; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMAN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-8071622-B2 1-[1-(6-Methoxy-1H-indole-2-carbonyl)-piperidin-4-yl]-1,3-dihydro-benzoimidazol-2-one; vasopressin receptors antagonist; antidepressant, anxiolytic agent; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMAN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-8071622-B2 1-[1-(6-Methoxy-1H-indole-2-carbonyl)-piperidin-4-yl]-1,3-dihydro-benzoimidazol-2-one; vasopressin receptors antagonist; antidepressant, anxiolytic agent; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMAN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-7799923-B2 Vasopressin receptor antagonists; (4-Benzotriazol-1-yl-piperidin-1-yl)-(5-chloro-1H-indol-2-yl)-methanone; antidepressants, anxiolytic agents; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2010-09-21 US disclosed
US-7799923-B2 Vasopressin receptor antagonists; (4-Benzotriazol-1-yl-piperidin-1-yl)-(5-chloro-1H-indol-2-yl)-methanone; antidepressants, anxiolytic agents; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2010-09-21 US disclosed
US-7799923-B2 Vasopressin receptor antagonists; (4-Benzotriazol-1-yl-piperidin-1-yl)-(5-chloro-1H-indol-2-yl)-methanone; antidepressants, anxiolytic agents; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2010-09-21 US disclosed
EP-2089381-B1 INDOLES WHICH ACT AS VIA RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
US-20080139618-A1 INDOLES HOFFMAN-LA ROCHE INC. 2008-06-12 US disclosed
US-20080139618-A1 INDOLES HOFFMAN-LA ROCHE INC. 2008-06-12 US disclosed
US-20080139618-A1 INDOLES HOFFMAN-LA ROCHE INC. 2008-06-12 US disclosed
US-20080139548-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
US-20080139548-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
US-20080139548-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
WO-2008068184-A1 INDOLES WHICH ACT AS VIA RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed
WO-2008068184-A1 INDOLES WHICH ACT AS VIA RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 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-20080139548-A1 INDOLES HTR1A, AVPR1A, TPH1 CHRM1 54/4885AVPR1A 2/4885HSD11B1 1172/4885
US-20080139618-A1 INDOLES HTR1A, AVPR1A, TPH1 CHRM1 54/4885AVPR1A 2/4885HSD11B1 1172/4885

“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.