SCHEMBL7200147

SCHEMBL7200147

COc1ccc(CC2(C(=O)Nc3ccc(N)cc3)CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.52
ITGA4 P13612 2/20 0.52
KDM4E B2RXH2 4/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.47
TSHR P16473 1/20 0.47
FAAH O00519 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
PTGS2 P35354 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6628315 0.80 ITGB1 (0.57) ITGB1ITGA4NPSR1POLBKMT2A
SCHEMBL6629685 0.79 ITGA4 (0.66) ITGB1ITGA4KMT2A
SCHEMBL8586015 0.77 ALDH1A1 (0.52) ITGB1ITGA4MAPTALDH1A1SMN1; SMN2
SCHEMBL5523971 0.77 ALDH1A1 (0.46) ITGB1ITGA4MAPTALDH1A1SMN1; SMN2
SCHEMBL6626906 0.77 ALDH1A1 (0.48) ITGB1ITGA4MAPTALDH1A1SMN1; SMN2
SCHEMBL6627416 0.76 ITGB1 (0.47) ITGB1ITGA4MAPTALDH1A1SMN1; SMN2
SCHEMBL4886593 0.75 ITGB1 (0.51) ITGB1ITGA4ALDH1A1SMN1; SMN2POLB
SCHEMBL5659226 0.74 SMN1; SMN2 (0.76) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL13984251 0.74 SMN1; SMN2 (0.76) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL4868046 0.74 TDP1 (0.52) ALDH1A1TDP1POLBTSHRNR4A1

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-20030109459-A1 N-alkanoylphenylalamine derivatives CHEN LI (US) 2003-06-12 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-20030109459-A1 N-alkanoylphenylalamine derivatives VCAM1, ICAM1, SELL ITGB1 14/4885ITGA4 9/4885KDM4E 1229/4885

“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.