SCHEMBL5658606

SCHEMBL5658606

Cc1ccc(OCC#Cc2ccc(CC[C@@](C)(N)CO)n2C)cc1C

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.32
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
GPR183 P32249 1/20 0.31
FKBP1A P62942 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KDR P35968 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL385735 1.00 RAB9A (0.32) RAB9AHTTHPGDS1PR1S1PR3
SCHEMBL5661079 0.89 S1PR1 (0.38) S1PR1S1PR3S1PR5KCNH2
SCHEMBL385597 0.89 S1PR1 (0.38) S1PR1S1PR3S1PR5KCNH2
SCHEMBL385549 0.88 S1PR1 (0.43) HPGDS1PR1S1PR3S1PR5
SCHEMBL385736 0.87 ALOX5 (0.36) RAB9AS1PR1S1PR3S1PR5SMN1; SMN2
SCHEMBL386305 0.87 S1PR1 (0.47) HPGDS1PR1S1PR3S1PR5
SCHEMBL383665 0.77 RAB9A (0.33) RAB9AFKBP1ASMN1; SMN2KDRKCNH2
SCHEMBL5530328 0.76 RAB9A (0.39) RAB9AHPGDFKBP1ASMN1; SMN2ALDH1A1
SCHEMBL383552 0.76 RAB9A (0.39) RAB9AHPGDFKBP1ASMN1; SMN2ALDH1A1
SCHEMBL383554 0.76 S1PR1 (0.48) S1PR1S1PR3S1PR5KCNH2

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-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 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-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT RAB9A 1886/4885HTT 4145/4885HPGD 1032/4885

“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.