SCHEMBL314724

SCHEMBL314724

FC(F)(F)OCc1nnc(C2CCNCC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.40
KCNH2 Q12809 3/20 0.39
HTR6 P50406 2/20 0.37
OXTR P30559 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A2 P23975 2/20 0.33
HTR3A P46098 1/20 0.33
NPY1R P25929 1/20 0.33
SOS1 Q07889 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PLAT P00750 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL314987 0.89 KCNH2 (0.38) AVPR1AKCNH2HTR6OXTRMEN1
SCHEMBL316950 0.85 OXTR (0.44) AVPR1AKCNH2HTR6OXTRMEN1
SCHEMBL8284415 0.83 P2RX7 (0.43) AVPR1AKCNH2HTR6OXTRMEN1
Hydrochloric Acid SCHEMBL315225 0.82 P2RX7 (0.43) AVPR1AKCNH2HTR6OXTRMEN1
SCHEMBL315724 0.77 KCNH2 (0.45) AVPR1AKCNH2HTR6HTR3ASOS1
SCHEMBL3239229 0.74 CYP1A2 (0.50) AVPR1AKCNH2MEN1KMT2A
SCHEMBL314441 0.74 AVPR1A (0.58) AVPR1AKCNH2HTR6KMT2AHTR3A
SCHEMBL13303341 0.73 OXTR (0.40) AVPR1AOXTRMEN1KMT2APLAT
Hydrochloric Acid SCHEMBL314895 0.73 AVPR1A (0.57) AVPR1AKCNH2HTR6MEN1KMT2A
SCHEMBL8285764 0.70 AVPR1A (0.36) AVPR1AKCNH2HTR6SOS1

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