SCHEMBL5848606

SCHEMBL5848606

C[C@H](N)c1cccc(-c2cccnc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 3/20 0.56
▸ MKNK2 Q9HBH9 3/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ PSIP1 O75475 1/20 0.56
▸ AXL P30530 1/20 0.56
▸ CYP2A6 P11509 3/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ EPHX2 P34913 1/20 0.47
▸ PRMT6 Q96LA8 1/20 0.47
▸ CTSL P07711 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ BACE1 P56817 2/20 0.47
▸ KMO O15229 1/20 0.46
▸ CYP17A1 P05093 2/20 0.46
▸ CYP19A1 P11511 2/20 0.46
▸ CYP11B1 P15538 2/20 0.46
▸ CYP11B2 P19099 2/20 0.46

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
SCHEMBL5218298 1.00 MKNK1 (0.56) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL29933933 0.86 CYP2A6 (0.52) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL23501618 0.86 CYP2A6 (0.52) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL23501643 0.86 CYP2A6 (0.52) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL2737287 0.86 CYP2A6 (0.56) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL5656094 0.84 CTSK (0.46) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL5888510 0.84 CTSK (0.46) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL5216031 0.82 KIF11 (0.49) CYP3A4PRMT6CTSLCTSSCTSK
SCHEMBL29337469 0.82 CYP2A6 (0.56) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL5888495 0.82 KIF11 (0.49) CYP3A4PRMT6CTSLCTSSCTSK

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-7144881-B2 Arylcyclopropylcarboxylic amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 — — US disclosed
US-7135472-B2 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 — — US disclosed
US-6831080-B2 E.g., 3-(2-fluorophenyl)-N-(1-(3-morpholin-4-yl)phenyl)-propyl)acrylamide; disorders responsive to opening of KCNQ potassium channels; analgesics; migraine, bipolar disorders, anticonvulsants, antiepileptic, anxiolytic agents BRISTOL-MYERS SQUIBB COMPANY 2004-12-14 — — US 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
US-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 — — US disclosed
US-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 — — 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 (3 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-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators KCNH2, KCNH3, KCNQ1 MKNK1 3227/4885MKNK2 3083/4885MEN1 2942/4885
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 MKNK1 3359/4885MKNK2 3195/4885MEN1 2015/4885
US-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers KCNQ3, KCNQ5, KCNQ2 MKNK1 3242/4885MKNK2 3000/4885MEN1 1278/4885

“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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