SCHEMBL19945962

SCHEMBL19945962

CCc1coc([C@@H](C(=O)NCCc2cc[c]cc2)c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
CNR1 P21554 5/20 0.44
TACR1 P25103 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 1/20 0.40
CNR2 P34972 4/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
CASP1 P29466 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CASP7 P55210 1/20 0.39
KDM4A O75164 1/20 0.38
USP2 O75604 1/20 0.37
HBB P68871 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL468138 0.84 PTPRB (0.43) POLBCNR1TACR1ALDH1A1SMN1; SMN2
SCHEMBL13569363 0.70 CNR1 (0.81) POLBCNR1TACR1ALDH1A1SMN1; SMN2
SCHEMBL19945961 0.70 PTPRB (0.46) POLBALDH1A1SMN1; SMN2CNR2MEN1
SCHEMBL5186025 0.66 KMT2A (0.57) POLBTSHRMEN1KMT2AKDM4E
SCHEMBL6923899 0.65 CNR1 (0.69) POLBCNR1TACR1ALDH1A1SMN1; SMN2
SCHEMBL6432979 0.63 CNR1 (0.69) CNR1ALDH1A1SMN1; SMN2CNR2MEN1
SCHEMBL5185990 0.63 HDAC2 (0.64) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL13182988 0.63 POLB (0.68) POLBCNR1ALDH1A1TSHRMEN1
SCHEMBL667359 0.62 KDM4E (0.65) ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL8156270 0.62 HPGD (0.66) CNR1ALDH1A1SMN1; SMN2MEN1KMT2A

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-20200108080-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2020-04-09 US disclosed
EP-3293182-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE Aerpio Therapeutics, Inc. (US) 2018-03-14 EP 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-20200108080-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES VEGFA, FLT4, AQP3 POLB 2865/4885CNR1 1927/4885TACR1 3722/4885

“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.