SCHEMBL14558129

SCHEMBL14558129

C=CCC(Cc1cccc(CN(C)C(C)C)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.40
▸ FOLH1 Q04609 7/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ CPA1 P15085 2/20 0.36
▸ CPA3 P15088 2/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CPB1 P15086 1/20 0.36
▸ CPB2 Q96IY4 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
SCHEMBL14610943 0.88 FOLH1 (0.43) CYP1A2FOLH1CPA1CPA3CPB1
SCHEMBL14558137 0.84 CYP1A2 (0.47) CYP1A2FOLH1
SCHEMBL14558136 0.82 FOLH1 (0.45) CYP1A2FOLH1CPA3HTR2AADRA1A
SCHEMBL14558096 0.80 HPGD (0.48) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL252900 0.76 CYP1A2 (0.68) CYP1A2FOLH1CPA1CPA3CPB1
SCHEMBL629350 0.76 CYP1A2 (0.68) CYP1A2FOLH1CPA1CPA3CPB1
SCHEMBL9007628 0.76 CYP1A2 (0.68) CYP1A2FOLH1CPA1CPA3CPB1
SCHEMBL5096045 0.76 PTGS2 (0.51) CYP1A2FOLH1PTGS2CPA1CPA3
SCHEMBL26732440 0.74 AKR1B1 (0.46) CYP1A2ADRA2BADRA2CSLC6A2HTR2A
SCHEMBL22388384 0.73 ADRA2B (0.46) ADRA2BADRA2CSLC6A2HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 CYP1A2 2606/4885FOLH1 4018/4885PTGS2 2416/4885

“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.

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