SCHEMBL1495876

SCHEMBL1495876

Cc1nc2c(o1)-c1ccccc1N(C(=O)c1ccccc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
RAB9A P51151 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
AVPR2 P30518 1/20 0.41
AVPR1A P37288 1/20 0.41
STAT3 P40763 1/20 0.40
KCNN4 O15554 1/20 0.40
KCNA3 P22001 1/20 0.40
LMNA P02545 3/20 0.39
MAPK1 P28482 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
CD74 P04233 1/20 0.39

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
SCHEMBL6991735 0.86 HTR1D (0.45) ALDH1A1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL2703870 0.85 PDCD1 (0.42) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL6619403 0.84 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL2616280 0.83 PDCD1 (0.49) RAB9ANPC1KMT2AAVPR2PDCD1
Hydrochloric Acid SCHEMBL2129494 0.83 PDCD1 (0.48) RAB9ANPC1KMT2AAVPR2PDCD1
SCHEMBL2628070 0.80 PDCD1 (0.52) AVPR2PDCD1CD274
SCHEMBL6993535 0.80 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL27789716 0.78 PDCD1 (0.44) AVPR2PDCD1CD274
SCHEMBL2129539 0.77 AVPR2 (0.49) AVPR2PDCD1CD274
SCHEMBL20619607 0.76 RAB9A (0.42) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP disclosed
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
EP-2292621-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2011-03-09 EP disclosed
EP-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 EP disclosed
EP-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 EP disclosed
EP-2256119-A1 Vasopressin V1a antagonists Vantia Limited (GB) 2010-12-01 EP disclosed
EP-2256119-A1 Vasopressin V1a antagonists Vantia Limited (GB) 2010-12-01 EP disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
EP-1632494-A1 Vasopressin v1a antagonists FERRING B.V. (NL) 2006-03-08 EP disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 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-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B ALDH1A1 902/4885HPGD 286/4885RAB9A 668/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B ALDH1A1 902/4885HPGD 286/4885RAB9A 668/4885

“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.