SCHEMBL4620922

SCHEMBL4620922

Cc1nnc(N2Cc3ccccc3C2)n1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.46
AVPR1A P37288 3/20 0.44
TRPA1 O75762 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
OXTR P30559 3/20 0.42
EGFR P00533 1/20 0.40
CETP P11597 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
GLA P06280 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL4643814 0.86 BRD4 (0.50) BRD4AVPR1ATRPA1TRPM8OXTR
SCHEMBL4618452 0.82 BRD4 (0.40) BRD4AVPR1ATRPA1TRPM8OXTR
SCHEMBL4618519 0.81 MAOB (0.36) BRD4AVPR1ATRPA1TRPM8OXTR
SCHEMBL4621605 0.80 ALDH1A1 (0.41) BRD4ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL4618544 0.79 OXTR (0.36) BRD4AVPR1ATRPA1TRPM8OXTR
SCHEMBL4619815 0.79 OXTR (0.49) AVPR1AOXTRALDH1A1MAPTRAB9A
SCHEMBL4621149 0.77 SIGMAR1 (0.45) BRD4AVPR1ATRPA1TRPM8ALDH1A1
SCHEMBL8285404 0.77 ADRB1 (0.56) BRD4AVPR1ATRPA1TRPM8CETP
Hydrochloric Acid SCHEMBL315352 0.75 ADRB1 (0.54) BRD4AVPR1ATRPA1TRPM8CETP
SCHEMBL4621637 0.75 AVPR1A (0.50) AVPR1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US claimed
EP-1885713-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-02-13 EP claimed
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 WO claimed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
EP-1885713-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-02-13 EP disclosed
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 WO 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 (1 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-20080234252-A1 Compounds Useful in Therapy AVPR1A, AVPR1B, AVPR2 BRD4 819/4885AVPR1A 1/4885TRPA1 495/4885

“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.