SCHEMBL314987

SCHEMBL314987

FC(F)(F)COCc1nnc(C2CCNCC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
AVPR1A P37288 2/20 0.36
HTR6 P50406 2/20 0.36
SLC6A4 P31645 2/20 0.35
OXTR P30559 1/20 0.34
HTR2C P28335 2/20 0.34
LRRK2 Q5S007 1/20 0.34
PLAT P00750 1/20 0.34
SLC5A1 P13866 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM2 Q14416 1/20 0.32
NPY1R P25929 1/20 0.32
SOS1 Q07889 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL314724 0.89 AVPR1A (0.40) KCNH2AVPR1AHTR6SLC6A4OXTR
SCHEMBL8284415 0.85 P2RX7 (0.43) KCNH2AVPR1AHTR6OXTRMEN1
Hydrochloric Acid SCHEMBL315225 0.84 P2RX7 (0.43) KCNH2AVPR1AHTR6SLC6A4OXTR
SCHEMBL316950 0.83 OXTR (0.44) KCNH2AVPR1AHTR6SLC6A4OXTR
SCHEMBL315724 0.75 KCNH2 (0.45) KCNH2AVPR1AHTR6PLATSOS1
SCHEMBL3239229 0.72 CYP1A2 (0.50) KCNH2AVPR1AMEN1KMT2AMAPT
SCHEMBL314441 0.72 AVPR1A (0.58) KCNH2AVPR1AHTR6KMT2AMAPT
SCHEMBL13303341 0.71 OXTR (0.40) AVPR1AOXTRHTR2CPLATMEN1
Hydrochloric Acid SCHEMBL314895 0.71 AVPR1A (0.57) KCNH2AVPR1AHTR6MEN1KMT2A
SCHEMBL8285764 0.68 AVPR1A (0.36) KCNH2AVPR1AHTR6SOS1

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
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
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 KCNH2 3025/4885AVPR1A 533/4885HTR6 305/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 KCNH2 62/4885AVPR1A 1/4885HTR6 224/4885

“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.