SCHEMBL3100293

SCHEMBL3100293

O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(n2nnc3ccccc32)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.63
HRH4 Q9H3N8 6/20 0.56
HRH3 Q9Y5N1 2/20 0.56
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HRH1 P35367 1/20 0.54
ALDH1A1 P00352 2/20 0.54
ATM Q13315 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
USP2 O75604 1/20 0.52
POLB P06746 1/20 0.52

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 0.81 AVPR1A (0.65) FPR2HRH4HRH3HRH1
SCHEMBL825280 0.79 AVPR1A (0.67) KMT2AMEN1RAB9ANPC1L3MBTL1
SCHEMBL17938616 0.78 HRH4 (0.80) FPR2HRH4HRH3KMT2AMEN1
SCHEMBL17938630 0.77 HRH4 (0.86) HRH4HRH3KMT2AMEN1RAB9A
SCHEMBL16599280 0.75 HRH4 (0.63) HRH4HRH3KMT2AMEN1RAB9A
SCHEMBL16598712 0.75 HRH4 (0.65) FPR2HRH4HRH3KMT2AMEN1
SCHEMBL16598558 0.75 KMT2A (0.64) HRH4HRH3KMT2AMEN1RAB9A
SCHEMBL27765505 0.74 KMT2A (0.57) FPR2HRH4HRH3KMT2AMEN1
SCHEMBL17938708 0.74 HRH4 (0.73) HRH4HRH3KMT2AMEN1RAB9A
SCHEMBL2455645 0.74 HRH4 (0.65) FPR2HRH4HRH3KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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-20080269290-A1 Indoles F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 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
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 (4 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 FPR2 1237/4885HRH4 220/4885HRH3 331/4885
US-20080139617-A1 INDOLES HTR1A, AVPR1A, TPH1 FPR2 1237/4885HRH4 220/4885HRH3 331/4885
US-20080269290-A1 Indoles HTR1A, AVPR1A, TPH1 FPR2 1237/4885HRH4 220/4885HRH3 331/4885
US-20080139618-A1 INDOLES HTR1A, AVPR1A, TPH1 FPR2 1237/4885HRH4 220/4885HRH3 331/4885

“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.