SCHEMBL316787

SCHEMBL316787

O=C(c1ccc(Cl)cc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.53
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.49
SLC9A1 P19634 1/20 0.48
RHOC P08134 1/20 0.47
RHOA P61586 1/20 0.47
HSD11B1 P28845 1/20 0.47
POLB P06746 1/20 0.46
PHGDH O43175 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 2/20 0.45

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
SCHEMBL315401 0.82 MGLL (0.53) MGLLLMNATSHRHTTMAPT
SCHEMBL316228 0.79 ENPP2 (0.51) MGLLLMNATSHRHTTMAPT
SCHEMBL316303 0.76 PHGDH (0.54) MGLLLMNATSHRHTTMAPT
SCHEMBL315046 0.75 LMNA (0.47) MGLLLMNATSHRHTTMAPT
SCHEMBL16197142 0.72 SMN1; SMN2 (0.55) MAPT
SCHEMBL11007666 0.69 MGLL (0.71) MGLLMAPTHSD11B1POLBPHGDH
SCHEMBL10722382 0.68 POLB (0.81) MGLLLMNAMAPTPOLBPHGDH
SCHEMBL9585721 0.68 POLB (0.81) MGLLLMNAMAPTPOLBPHGDH
SCHEMBL154347 0.68 ALDH1A1 (0.71) MGLLLMNAMAPTHSD11B1POLB
SCHEMBL647507 0.68 MGLL (0.69) MGLLMAPTHSD11B1POLBPHGDH

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 13 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
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 2004/4885LMNA 2443/4885TSHR 577/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MGLL 4089/4885LMNA 1738/4885TSHR 1559/4885

“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.