SCHEMBL315783

SCHEMBL315783

CCOCc1nnc(C2CCN(C(=O)c3cccc(Cl)c3)CC2)o1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MGLL Q99685 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HSD11B1 P28845 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
ADRB2 P07550 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL315046 0.88 LMNA (0.47) TP53MEN1KMT2APOLBMGLL
SCHEMBL315951 0.86 TP53 (0.61) TP53CYP2D6CYP2C19MEN1KMT2A
SCHEMBL314930 0.82 TP53 (0.57) TP53CYP2D6CYP2C19MGLLALDH1A1
SCHEMBL314865 0.81 TP53 (0.54) TP53CYP2D6CYP2C19SMN1; SMN2MGLL
SCHEMBL314745 0.78 L3MBTL1 (0.41) TP53CYP2C19MEN1KMT2APOLB
SCHEMBL316228 0.76 ENPP2 (0.51) TP53MEN1KMT2APOLBSMN1; SMN2
SCHEMBL314636 0.74 TP53 (0.56) TP53CYP2D6CYP2C19MEN1KMT2A
SCHEMBL10189883 0.73 SMN1; SMN2 (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1PKM
SCHEMBL315255 0.72 MEN1 (0.58) MEN1KMT2AMGLLHSD11B1ADRB2
SCHEMBL315088 0.71 TSHR (0.72) CYP2C19MEN1KMT2AMGLLALDH1A1

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 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.