SCHEMBL3103574

SCHEMBL3103574

COc1ccc2cc(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)[nH]c2c1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.70
NPC1 O15118 5/20 0.62
KMT2A Q03164 5/20 0.62
MEN1 O00255 2/20 0.62
FPR2 P25090 6/20 0.61
RAB9A P51151 4/20 0.59
HRH4 Q9H3N8 1/20 0.59
RXFP1 Q9HBX9 1/20 0.56
OPRM1 P35372 1/20 0.56

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
SCHEMBL3108012 0.93 FPR2 (0.71) HSD11B1KMT2AMEN1FPR2HRH4
SCHEMBL3100321 0.87 PLD2 (0.66) HSD11B1
SCHEMBL3105364 0.85 HSD11B1 (0.71) HSD11B1KMT2AMEN1FPR2
SCHEMBL3107877 0.81 HSD11B1 (0.68) HSD11B1OPRM1
SCHEMBL3104810 0.80 HSD11B1 (0.66) HSD11B1
SCHEMBL3113784 0.80 HSD11B1 (0.71) HSD11B1OPRM1
SCHEMBL8863877 0.80 HSD11B1 (0.74) HSD11B1OPRM1
SCHEMBL3107130 0.80 AVPR1A (0.65) HSD11B1FPR2HRH4OPRM1
SCHEMBL3091550 0.80 PLD1 (0.69) HSD11B1KMT2AMEN1FPR2HRH4
SCHEMBL3107980 0.80 FPR2 (0.59) HSD11B1FPR2HRH4OPRM1

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 25 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
US-20080139548-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US 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
EP-2089381-B1 INDOLES WHICH ACT AS VIA RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
EP-2089381-A1 INDOLES WHICH ACT AS VIA RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-08-19 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
WO-2008068184-A1 INDOLES WHICH ACT AS VIA RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO 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
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-20080139617-A1 INDOLES HOFFMAN-LA ROCHE INC. 2008-06-12 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 (3 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 HSD11B1 1172/4885NPC1 3144/4885KMT2A 1042/4885
US-20080139617-A1 INDOLES HTR1A, AVPR1A, TPH1 HSD11B1 1172/4885NPC1 3144/4885KMT2A 1042/4885
US-20080139618-A1 INDOLES HTR1A, AVPR1A, TPH1 HSD11B1 1172/4885NPC1 3144/4885KMT2A 1042/4885

“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.