SCHEMBL314316

SCHEMBL314316

NNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.68
MAPT P10636 1/20 0.68
EPHX2 P34913 1/20 0.67
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
HSD11B1 P28845 1/20 0.60
UBE2M P61081 1/20 0.60
DCUN1D1 Q96GG9 1/20 0.60
RHOC P08134 1/20 0.59
RHOA P61586 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59

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
SCHEMBL2831686 0.85 EPHX2 (0.66) MGLLEPHX2MEN1KMT2AHSD11B1
SCHEMBL315815 0.83 MGLL (0.67) MGLLMEN1KMT2AHSD11B1UBE2M
SCHEMBL1534281 0.81 MAPT (1.00) MGLLMAPTEPHX2MEN1KMT2A
SCHEMBL23086080 0.80 MGLL (1.00) MGLLMAPTMEN1KMT2AUBE2M
SCHEMBL647507 0.80 MGLL (0.69) MGLLMAPTMEN1KMT2AHSD11B1
SCHEMBL315544 0.79 RHOC (0.61) MGLLMAPTEPHX2MEN1KMT2A
SCHEMBL11007666 0.78 MGLL (0.71) MGLLMAPTEPHX2MEN1KMT2A
SCHEMBL13719645 0.78 POLB (0.65) MGLLMAPTEPHX2KMT2AUBE2M
SCHEMBL9585721 0.77 POLB (0.81) MGLLMAPTKMT2ACA12CA1
SCHEMBL10722382 0.77 POLB (0.81) MGLLMAPTKMT2ACA12CA1

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 12 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-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 MGLL 2004/4885MAPT 4829/4885EPHX2 158/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MGLL 4089/4885MAPT 4518/4885EPHX2 2610/4885

“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.