SCHEMBL315230

SCHEMBL315230

Cc1cc(Cl)ccc1-n1c(C)nnc1C1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.41
AVPR1A P37288 6/20 0.40
BRD4 O60885 9/20 0.39
KCNH2 Q12809 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
LMNA P02545 1/20 0.37
GABRA1 P14867 1/20 0.37
HPGD P15428 1/20 0.37
CNR1 P21554 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
OPRK1 P41145 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL315106 0.93 AVPR1A (0.39) HTR3AAVPR1ABRD4KCNH2
SCHEMBL314800 0.93 AVPR1A (0.43) AVPR1ABRD4KCNH2
SCHEMBL27648769 0.90 HTR3A (0.41) HTR3AAVPR1ABRD4KCNH2HTR2C
SCHEMBL27669105 0.83 AVPR1A (0.37) HTR3AAVPR1ABRD4KCNH2LMNA
SCHEMBL8284390 0.81 AVPR1A (0.42) AVPR1ABRD4KCNH2
SCHEMBL27831816 0.78 SETDB1 (0.42) AVPR1ABRD4KCNH2
SCHEMBL314441 0.74 AVPR1A (0.58) HTR3AAVPR1ABRD4KCNH2HPGD
SCHEMBL315257 0.74 BRD4 (0.42) AVPR1ABRD4KCNH2
SCHEMBL316458 0.73 PROKR1 (0.46) BRD4
Trifluoroacetic Acid SCHEMBL315738 0.73 SLC22A12 (0.39) AVPR1ABRD4

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
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 HTR3A 398/4885AVPR1A 533/4885BRD4 213/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 HTR3A 123/4885AVPR1A 1/4885BRD4 1989/4885

“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.