SCHEMBL4887345

SCHEMBL4887345

Clc1ccc(-n2c(Cn3nccn3)nnc2N2Cc3cccnc3C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 1/20 0.36
AVPR1A P37288 4/20 0.34
TRPA1 O75762 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
OXTR P30559 1/20 0.31
FAAH O00519 1/20 0.31
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
DRD3 P35462 2/20 0.31
TSHR P16473 2/20 0.31
CACNA1F O60840 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL4619490 0.89 TRPA1 (0.39) AVPR1ATRPA1TRPM8OXTRDRD4
SCHEMBL4884416 0.86 USP2 (0.35) AVPR1ATRPA1TRPM8OXTRTSHR
SCHEMBL4681115 0.82 TRPA1 (0.32) TRPA1TRPM8TSHRLMNAKDM4E
SCHEMBL4876933 0.82 AVPR2 (0.33) AVPR1ATRPA1TRPM8OXTRCYP1A2
SCHEMBL4740390 0.80 TRPA1 (0.30) AVPR1ATRPA1TRPM8OXTR
SCHEMBL4882039 0.80 USP2 (0.33) AVPR1ATRPA1TRPM8TSHRCYP1A2
SCHEMBL4685446 0.78 DRD2 (0.35) AVPR1ATRPA1TRPM8DRD2DRD4
SCHEMBL4881588 0.76 MAPK1 (0.33) AVPR1ATRPA1TRPM8OXTRCYP1A2
SCHEMBL4619486 0.75 PDK2 (0.32) AVPR1ATRPA1TRPM8TSHRKDM4E
SCHEMBL4624366 0.75 TRPA1 (0.34) AVPR1ATRPA1TRPM8TSHRCYP1A2

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 5 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
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
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 TIPARP 3562/4885AVPR1A 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.