SCHEMBL3239229

SCHEMBL3239229

Clc1ccc(-n2c(CN3CCOCC3)nnc2C2CCNCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
AVPR1A P37288 2/20 0.45
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SLC2A1 P11166 3/20 0.39
KCNH2 Q12809 1/20 0.39
USP2 O75604 1/20 0.38

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
SCHEMBL315724 0.81 KCNH2 (0.45) AVPR1AMAPTALDH1A1KCNH2
SCHEMBL5212838 0.79 AVPR1A (0.70) CYP2C19AVPR1ALMNAMAPTHSD17B10
SCHEMBL316950 0.77 OXTR (0.44) CYP2C19AVPR1ANPSR1MAPTHTT
SCHEMBL8284415 0.75 P2RX7 (0.43) AVPR1ANPSR1MAPTHTTALDH1A1
Hydrochloric Acid SCHEMBL315225 0.74 P2RX7 (0.43) AVPR1ANPSR1HTTALDH1A1MEN1
SCHEMBL314724 0.74 AVPR1A (0.40) AVPR1AMEN1KMT2AKCNH2
SCHEMBL314441 0.73 AVPR1A (0.58) AVPR1ANPSR1MAPTALDH1A1KMT2A
SCHEMBL315122 0.73 TSHR (0.42) CYP1A2CYP2C19AVPR1ANPSR1LMNA
SCHEMBL314987 0.72 KCNH2 (0.38) AVPR1AMAPTMEN1KMT2AKCNH2
Hydrochloric Acid SCHEMBL314895 0.72 AVPR1A (0.57) AVPR1ANPSR1MAPTALDH1A1MEN1

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 11 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-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 CYP1A2 285/4885CYP2C19 703/4885AVPR1A 533/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 CYP1A2 507/4885CYP2C19 307/4885AVPR1A 1/4885

“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.