SCHEMBL5675747

SCHEMBL5675747

COCNC(=O)C1CC1c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
SLC9A1 P19634 1/20 0.47
DGAT2 Q96PD7 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
NAMPT P43490 1/20 0.44

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
SCHEMBL5683628 0.86 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20380102 0.84 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5675719 0.84 SLC9A1 (0.51) ALDH1A1LMNATP53SLC9A1DGAT2
SCHEMBL1796938 0.82 KCNH2 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1799448 0.82 KCNH2 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28019820 0.79 FAAH (0.57) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3970521 0.79 SLC6A4 (0.55) SLC9A1
SCHEMBL3977676 0.79 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16585396 0.79 SLC6A4 (0.55) SLC9A1
SCHEMBL326945 0.78 SLC9A1 (0.49) ALDH1A1HPGDSLC9A1GAA

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
US-7144881-B2 Arylcyclopropylcarboxylic amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 US disclosed
EP-1565190-A4 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2006-04-26 EP disclosed
EP-1565190-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-08-24 EP disclosed
US-20040110754-A1 2-(2-fluoro-phenyl)-cyclopropanecarboxylic acid[1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-amide for example; for pain, migraine, neuropathic pain, bipolar disorders, convulsions, mania, epilepsy, anxiety, depression and neurodegenerative disorders BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2004047738-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 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-20040110754-A1 2-(2-fluoro-phenyl)-cyclopropanecarboxylic acid[1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-amide for example; for pain, migraine, neuropathic pain, bipolar disorders, convulsions, mania, epilepsy, anxiety, depression and neurodegenerative disorders KCNQ2, KCNQ5, KCNJ2 ALDH1A1 954/4885CYP1A2 939/4885CYP3A4 1049/4885

“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.