SCHEMBL10189996

SCHEMBL10189996

CC(=O)N1CCC(c2nnc(Cn3nccn3)n2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 2/20 0.44
MAPK14 Q16539 2/20 0.44
AVPR1A P37288 5/20 0.44
KCNH2 Q12809 3/20 0.42
AVPR2 P30518 1/20 0.42
SLC2A1 P11166 1/20 0.41
ENPP2 Q13822 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD11B1 P28845 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
CYP11B2 P19099 1/20 0.36

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
SCHEMBL314967 0.89 AKR1C3 (0.45) AVPR1AMAPTMEN1KMT2A
SCHEMBL15451275 0.86 TRPV1 (0.42) AVPR1AKCNH2
SCHEMBL315881 0.86 MEN1 (0.52) MAPTNPSR1MEN1ALDH1A1KMT2A
SCHEMBL10189997 0.86 AVPR1A (0.47) AVPR1AMAPTHSD11B1MEN1ALDH1A1
SCHEMBL314899 0.84 AVPR1A (0.43) AVPR1AKCNH2AVPR2ENPP2MAPT
SCHEMBL316211 0.84 AVPR1A (0.49) AVPR1AHSD11B1ALDH1A1TP53
SCHEMBL314612 0.84 MGLL (0.43) AVPR1AHSD11B1
SCHEMBL15451324 0.83 MEN1 (0.51) AVPR1ASLC2A1MAPTMEN1ALDH1A1
SCHEMBL315732 0.83 MGLL (0.52) AVPR1AHSD11B1MEN1KMT2A
SCHEMBL315469 0.82 AKR1C3 (0.41) AVPR1AMAPTHSD11B1MEN1KMT2A

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 2 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-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 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 (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-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MAPK11 3006/4885MAPK14 3077/4885AVPR1A 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.