SCHEMBL316303

SCHEMBL316303

O=C(c1ccc(Cl)cc1)N1CCC(c2nnco2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.54
MGLL Q99685 8/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
EPHX2 P34913 1/20 0.49
KCNH2 Q12809 1/20 0.49
AKR1C3 P42330 1/20 0.49
HSD11B1 P28845 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL314636 0.85 TP53 (0.56) MGLLKMT2AMEN1EPHX2KCNH2
SCHEMBL315401 0.79 MGLL (0.53) PHGDHMGLLMAPTLMNATSHR
SCHEMBL316228 0.76 ENPP2 (0.51) PHGDHMGLLMAPTLMNATSHR
SCHEMBL316787 0.76 MGLL (0.53) PHGDHMGLLMAPTLMNATSHR
SCHEMBL11007666 0.73 MGLL (0.71) PHGDHMGLLMAPTKMT2AMEN1
SCHEMBL10722382 0.72 POLB (0.81) PHGDHMGLLMAPTLMNAKMT2A
SCHEMBL9585721 0.72 POLB (0.81) PHGDHMGLLMAPTLMNAKMT2A
SCHEMBL315046 0.72 LMNA (0.47) MGLLMAPTLMNATSHRHTT
SCHEMBL154347 0.71 ALDH1A1 (0.71) PHGDHMGLLMAPTLMNAKMT2A
SCHEMBL647507 0.71 MGLL (0.69) PHGDHMGLLMAPTKMT2AMEN1

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 11 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-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
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 PHGDH 4036/4885MGLL 2004/4885MAPT 4829/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 PHGDH 2394/4885MGLL 4089/4885MAPT 4518/4885

“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.