SCHEMBL314796

SCHEMBL314796

O=C(O)N1CCC(Oc2nnc(Cn3nccn3)n2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.39
KCNH2 Q12809 4/20 0.37
MCHR1 Q99705 1/20 0.37
ENPP2 Q13822 1/20 0.36
EPHX2 P34913 5/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2J2 P51589 3/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 1/20 0.34
AKR1C3 P42330 1/20 0.33
TSHR P16473 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
FFAR1 O14842 1/20 0.33
CACNB4 O00305 1/20 0.33
CACNA1A O00555 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNG3 O60359 1/20 0.33

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
SCHEMBL10189996 0.73 MAPK11 (0.44) KCNH2ENPP2MEN1ALDH1A1KMT2A
SCHEMBL314967 0.73 AKR1C3 (0.45) MEN1KMT2AAKR1C3TSHR
SCHEMBL10189997 0.73 AVPR1A (0.47) MEN1ALDH1A1KMT2AAKR1C3TSHR
SCHEMBL316421 0.72 NOTUM (0.48) CYP2C19ALDH1A1AKR1C3FFAR1
SCHEMBL5157145 0.72 AVPR1A (0.40) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL315881 0.71 MEN1 (0.52) MEN1ALDH1A1KMT2ACNR1
SCHEMBL15451333 0.69 AVPR1A (0.46) MEN1ALDH1A1KMT2ATSHRHRH3
SCHEMBL315548 0.69 MGLL (0.41)
SCHEMBL15451275 0.69 TRPV1 (0.42) KCNH2CNR1
SCHEMBL4685389 0.69 AVPR1A (0.38) KCNH2MCHR1ALDH1A1CNR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 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 (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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 VCP 2632/4885KCNH2 3025/4885MCHR1 1203/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 VCP 771/4885KCNH2 62/4885MCHR1 431/4885

“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.