SCHEMBL26579485

SCHEMBL26579485

COc1cc2c(c(O)c1CCO)CN(CCc1ccc(F)cc1)C2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 7/20 0.53
▸ KMT2A Q03164 1/20 0.44
▸ DHCR7 Q9UBM7 3/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ TMEM97 Q5BJF2 2/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ HTR2A P28223 2/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ KCNQ1 P51787 1/20 0.39
▸ ABCG2 Q9UNQ0 3/20 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
SCHEMBL29662859 0.85 ABCB1 (0.48) ABCB1KMT2ADHCR7KCNH2TMEM97
SCHEMBL29662779 0.83 SIGMAR1 (0.44) ABCB1DHCR7KCNH2TMEM97SIGMAR1
SCHEMBL24305865 0.78 CNR2 (0.48) ABCB1KMT2AKCNH2TMEM97SIGMAR1
SCHEMBL29662793 0.75 ABCB1 (0.42) ABCB1KMT2ADHCR7KCNH2TMEM97
SCHEMBL29662738 0.75 ABCB1 (0.47) ABCB1DHCR7SIGMAR1ADRA1BABCG2
SCHEMBL14739300 0.69 ABCB1 (0.57) ABCB1KMT2ADHCR7ABCG2
SCHEMBL24305866 0.68 CNR2 (0.48) ABCB1KMT2ASIGMAR1
SCHEMBL25323579 0.68 CNR2 (0.46) KMT2AKCNH2TMEM97
SCHEMBL25322463 0.67 CNR2 (0.47) ABCB1KMT2AKCNH2TMEM97SIGMAR1
SCHEMBL8790386 0.67 ABCB1 (0.64) ABCB1DHCR7ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331672-A1 6-METHOXY-2-PHENETHYL ISOINDOLINE-1-ONE DERIVATIVE AND COMPOSITION FOR TREATING NEUROLOGICAL DISORDERS, COMPRISING SAME CNG BIO CO., LTD. (KR) 2023-10-19 — — 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-20230331672-A1 6-METHOXY-2-PHENETHYL ISOINDOLINE-1-ONE DERIVATIVE AND COMPOSITION FOR TREATING NEUROLOGICAL DISORDERS, COMPRISING SAME NGF, BDNF, NTRK2 ABCB1 2691/4885KMT2A 1937/4885DHCR7 1924/4885

“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.

Send feedback