SCHEMBL315110

SCHEMBL315110

Cc1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
ALDH1A1 P00352 2/20 0.64
SMO Q99835 2/20 0.55
AKR1C3 P42330 1/20 0.53
HSP90AA1 P07900 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TRPA1 O75762 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
CDK1 P06493 1/20 0.47
IGF1R P08069 1/20 0.47
FGFR1 P11362 1/20 0.47
BRAF P15056 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR4 P22455 1/20 0.47
FGFR3 P22607 1/20 0.47
JAK1 P23458 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
SCHEMBL315251 0.87 TRPA1 (0.46) LMNAALDH1A1AKR1C3HSP90AA1KDM4E
SCHEMBL315574 0.79 CNR1 (0.55) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL8284382 0.78 CNR1 (0.52) LMNAALDH1A1HPGDMEN1KMT2A
SCHEMBL315737 0.77 NOTUM (0.56) LMNAAKR1C3KDM4EHPGDKMT2A
SCHEMBL4643814 0.76 BRD4 (0.50) ALDH1A1AKR1C3KDM4EHPGDMEN1
SCHEMBL316202 0.76 TRPA1 (0.41) LMNAALDH1A1KDM4EHPGDMEN1
SCHEMBL315782 0.76 CNR1 (0.54) TRPA1TRPM8
SCHEMBL315925 0.75 NPY5R (0.44) TRPA1TRPM8
SCHEMBL315118 0.75 MEN1 (0.56) LMNAALDH1A1HPGDMEN1KMT2A
SCHEMBL6705171 0.74 LMNA (0.88) LMNAALDH1A1AKR1C3HSP90AA1MEN1

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 14 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
CN-1898244-B Triazole derivatives as vasopressin antagonists PFIZER 2011-06-22 CN 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
CN-1898244-A Triazole derivatives as vasopressin antagonists PFIZER (US) 2007-01-17 CN 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 LMNA 2443/4885ALDH1A1 2650/4885SMO 1752/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 LMNA 1738/4885ALDH1A1 2031/4885SMO 4009/4885

“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.