SCHEMBL314746

SCHEMBL314746

CCOC(=O)C1CCN(c2nnc(Cn3nccn3)n2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 3/20 0.47
TP53 P04637 2/20 0.47
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 2/20 0.45
LGMN Q99538 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL316421 0.86 NOTUM (0.48) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL315336 0.84 MAPT (0.53) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL4685389 0.82 AVPR1A (0.38) MAPTALDH1A1KDM4ETP53TSHR
SCHEMBL4620868 0.78 WDR91 (0.39)
SCHEMBL315330 0.77 MCHR1 (0.40)
SCHEMBL4622389 0.76 TRPA1 (0.38) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5157145 0.76 AVPR1A (0.40) CYP2C9CYP2C19
SCHEMBL4897404 0.72 AVPR1A (0.35) ALDH1A1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL10189996 0.71 MAPK11 (0.44) MAPTALDH1A1TP53KMT2AMEN1
SCHEMBL4619490 0.71 TRPA1 (0.39) MAPTALDH1A1KDM4EHPGDSMN1; SMN2

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 MAPT 4829/4885ALDH1A1 2650/4885KDM4E 3377/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MAPT 4518/4885ALDH1A1 2031/4885KDM4E 954/4885

“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.