SCHEMBL316547

SCHEMBL316547

Cc1nnc(C2CN(C(=O)c3ccccc3Cl)CCO2)n1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.43
MGLL Q99685 2/20 0.42
P2RX7 Q99572 2/20 0.41
BRD4 O60885 4/20 0.40
PDE2A O00408 3/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD11B1 P28845 2/20 0.39
KRAS P01116 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL314797 0.85 AVPR1A (0.43) AVPR1ABRD4PDE2AALDH1A1
SCHEMBL8285837 0.82 HSD11B1 (0.51) AVPR1AMGLLPDE2AHSD11B1
SCHEMBL8285084 0.80 MEN1 (0.43) AVPR1ABRD4ALDH1A1
SCHEMBL315393 0.72 MGLL (0.43) MGLLP2RX7PDE2AKDM4EALDH1A1
SCHEMBL314859 0.70 PDE2A (0.49) PDE2AKDM4EALDH1A1HSD11B1
SCHEMBL8257133 0.65 AVPR1A (0.55) AVPR1AMGLLBRD4
(2-Chlorophenyl)(Morpholino)Methanone SCHEMBL6938284 0.64 MGLL (0.68) MGLLKDM4EALDH1A1RAB9A
SCHEMBL25453329 0.64 AVPR2 (0.50) AVPR1AMGLLP2RX7KDM4EALDH1A1
SCHEMBL25453338 0.64 AVPR2 (0.55) AVPR1AMGLLP2RX7KDM4EALDH1A1
SCHEMBL25453375 0.64 AVPR2 (0.50) AVPR1AMGLLP2RX7KDM4EALDH1A1

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 9 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-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
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-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 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
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US 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 AVPR1A 533/4885MGLL 2004/4885P2RX7 2186/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885MGLL 4089/4885P2RX7 288/4885

“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.