SCHEMBL5348698

SCHEMBL5348698

COc1cc(CNC(=O)CCCCCCCC(=O)NCc2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.90

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.90
CYP3A4 P08684 3/20 0.90
CYP2D6 P10635 3/20 0.90
CYP2C9 P11712 2/20 0.90
CYP2C19 P33261 2/20 0.90
BLM P54132 2/20 0.90
PMP22 Q01453 2/20 0.90
HPGD P15428 2/20 0.90
ALDH1A1 P00352 1/20 0.90
ALOX15 P16050 1/20 0.90
TRPV1 Q8NER1 11/20 0.83
MEN1 O00255 2/20 0.83
KMT2A Q03164 2/20 0.83
POLB P06746 1/20 0.83
TSHR P16473 1/20 0.83
NPSR1 Q6W5P4 1/20 0.83
TP53 P04637 1/20 0.78
MAPT P10636 1/20 0.78
MTOR P42345 1/20 0.78

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
SCHEMBL1155582 0.95 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5088067 0.95 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8373082 0.95 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Nonivamide SCHEMBL81939 0.95 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL679954 0.95 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2400979 0.95 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5889449 0.95 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1155739 0.95 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6409250 0.95 CYP1A2 (0.81) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Nonivamide SCHEMBL29425552 0.95 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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-7244767-B2 N-acylvanillinamide derivatives capable of activating peripheral cannabinoid receptors INNOVET ITALIA S.R.L. (IT) 2007-07-17 US 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 claimed
EP-1115392-B1 USE OF N-ACYLVANILLINAMIDE DERIVATIVES AS AGONISTS OF PERIPHERAL CANNABINOID CB1 RECEPTORS INNOVET ITALIA SRL (IT) 2002-12-11 EP claimed
US-7244767-B2 N-acylvanillinamide derivatives capable of activating peripheral cannabinoid receptors INNOVET ITALIA S.R.L. (IT) 2007-07-17 US disclosed
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-B1 USE OF N-ACYLVANILLINAMIDE DERIVATIVES AS AGONISTS OF PERIPHERAL CANNABINOID CB1 RECEPTORS INNOVET ITALIA SRL (IT) 2002-12-11 EP 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 CYP1A2 3643/4885CYP3A4 4294/4885CYP2D6 4076/4885

“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.