SCHEMBL314636

SCHEMBL314636

O=C(c1cccc(Cl)c1)N1CCC(c2nnco2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
MGLL Q99685 1/20 0.54
ALDH1A1 P00352 4/20 0.52
HSD11B1 P28845 2/20 0.51
PKM P14618 1/20 0.50
EPHX2 P34913 1/20 0.48
KCNH2 Q12809 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
ADRB2 P07550 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
SCHEMBL316303 0.85 PHGDH (0.54) MGLLALDH1A1HSD11B1EPHX2KCNH2
SCHEMBL315951 0.79 TP53 (0.61) TP53CYP2D6CYP2C19MGLLALDH1A1
SCHEMBL314930 0.77 TP53 (0.57) TP53CYP2D6CYP2C19MGLLALDH1A1
SCHEMBL10726894 0.75 PKM (0.74) MGLLALDH1A1PKMMEN1KMT2A
SCHEMBL314865 0.75 TP53 (0.54) TP53CYP2D6CYP2C19MGLLHSD11B1
SCHEMBL23775471 0.74 MGLL (0.67) CYP2D6CYP2C19MGLLALDH1A1HSD11B1
SCHEMBL9500153 0.74 MGLL (0.67) CYP2D6CYP2C19MGLLALDH1A1HSD11B1
SCHEMBL9500165 0.74 ACHE (0.67) TP53CYP2D6CYP2C19MGLLALDH1A1
SCHEMBL315783 0.74 TP53 (0.61) TP53CYP2D6CYP2C19MGLLALDH1A1
SCHEMBL6940127 0.74 PHGDH (0.66) ALDH1A1PKML3MBTL1KDM4E

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 TP53 4389/4885CYP2D6 136/4885CYP2C19 703/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 TP53 4843/4885CYP2D6 801/4885CYP2C19 307/4885

“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.