SCHEMBL12493651

SCHEMBL12493651

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nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.74
▸ CPA3 P15088 3/20 0.66
▸ FOLH1 Q04609 3/20 0.62
▸ CPA1 P15085 7/20 0.59
▸ CPB1 P15086 1/20 0.59
▸ CPB2 Q96IY4 1/20 0.59
▸ PPARG P37231 2/20 0.57
▸ SLC1A3 P43003 1/20 0.54
▸ SLC1A2 P43004 1/20 0.54
▸ SLC1A1 P43005 1/20 0.54
▸ MME P08473 1/20 0.51
▸ NAALAD2 Q9Y3Q0 1/20 0.50
▸ PPARD Q03181 1/20 0.50
▸ PPARA Q07869 1/20 0.50

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
SCHEMBL265514 0.90 CYP1A2 (0.83) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL265063 0.90 CYP1A2 (0.83) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL491524 0.90 CYP1A2 (0.83) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL12494233 0.90 CYP1A2 (0.83) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL6724759 0.90 CYP1A2 (0.83) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL19821208 0.90 CYP1A2 (0.83) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL28171699 0.89 CYP1A2 (0.62) CYP1A2CPA3FOLH1CPA1CPB1
Hydrochloric Acid SCHEMBL6717346 0.88 CYP1A2 (0.79) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL12494702 0.87 CYP1A2 (0.66) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL12494942 0.87 CYP1A2 (0.66) CYP1A2CPA3FOLH1CPA1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346852-B2 Substituted adipic acid amides and uses thereof BRISTOL-MYERS SCUIBB COMPANY (US) 2016-05-24 — — US disclosed
US-9346852-B2 Substituted adipic acid amides and uses thereof BRISTOL-MYERS SCUIBB COMPANY (US) 2016-05-24 — — US disclosed
US-9346852-B2 Substituted adipic acid amides and uses thereof BRISTOL-MYERS SCUIBB COMPANY (US) 2016-05-24 — — US disclosed
US-20130345123-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-26 — — US disclosed
WO-2012125622-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 — — WO disclosed
WO-2012125622-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 — — WO 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-20130345123-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF NPY4R, ADIPOR1, NPY1R CYP1A2 1432/4885CPA3 508/4885FOLH1 3242/4885

“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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