SCHEMBL6409253

SCHEMBL6409253

COc1cc(CC(CCCCCCC(N)=O)C(N)=O)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.54
CYP2C9 P11712 5/20 0.54
CYP2C19 P33261 5/20 0.54
CYP1A2 P05177 4/20 0.54
CYP2D6 P10635 4/20 0.54
BLM P54132 2/20 0.54
PMP22 Q01453 2/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
FOS P01100 1/20 0.51
TTR P02766 1/20 0.51
JUN P05412 1/20 0.51
NR3C1 P04150 1/20 0.51
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
CYP2C8 P10632 3/20 0.50
CYP2B6 P20813 3/20 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
SCHEMBL28162513 0.90 HTR1A (0.59) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL29370506 0.90 HTR1A (0.59) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL3393167 0.90 HTR1A (0.59) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL299310 0.90 HTR1A (0.59) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL29549298 0.90 HTR1A (0.59) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL1286871 0.90 HTR1A (0.59) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL28516417 0.89 HTR1A (0.58) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
Nonanoate SCHEMBL29039816 0.89 CYP3A4 (0.56) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
Undecanoate SCHEMBL28382750 0.89 CYP3A4 (0.56) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL15259679 0.88 FOS (0.54) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115392-A2 USE OF N-ACYLVANILLINAMIDE DERIVATIVES AS AGONISTS OF PERIPHERAL CANNABINOID CB1 RECEPTORS Innovet Italia S.r.l. (IT) 2001-07-18 EP claimed
WO-2000016756-A2 USE OF N-ACYLVANILLINAMIDE DERIVATIVES AS AGONISTS OF PERIPHERAL CANNABINOID CB1 RECEPTORS INNOVET ITALIA S.R.L. (IT) 2000-03-30 WO claimed
US-20050065216-A1 Therapy for multiple sclerosis, psoriasis, urticaria; antiarthritic agents; incotinence; antitumor, anticancer agents INNOVET ITALIA S.R.L. (IT) 2005-03-24 US disclosed
EP-1115392-A2 USE OF N-ACYLVANILLINAMIDE DERIVATIVES AS AGONISTS OF PERIPHERAL CANNABINOID CB1 RECEPTORS Innovet Italia S.r.l. (IT) 2001-07-18 EP disclosed
WO-2000016756-A2 USE OF N-ACYLVANILLINAMIDE DERIVATIVES AS AGONISTS OF PERIPHERAL CANNABINOID CB1 RECEPTORS INNOVET ITALIA S.R.L. (IT) 2000-03-30 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-20050065216-A1 Therapy for multiple sclerosis, psoriasis, urticaria; antiarthritic agents; incotinence; antitumor, anticancer agents CNR1, CNR2, GPR18 CYP3A4 4294/4885CYP2C9 3686/4885CYP2C19 3708/4885

“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.