SCHEMBL5648372

SCHEMBL5648372

c1nnc([C@@H]2CCCN2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRM5 P08912 5/20 0.37
CHRM3 P20309 5/20 0.37
CHRM2 P08172 5/20 0.37
CHRM1 P11229 4/20 0.37
CHRM4 P08173 4/20 0.37
SCN10A Q9Y5Y9 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MEN1 O00255 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL5648379 1.00 CHRNB2 (0.40) CHRNB2CHRNA7CHRNA4CHRM5CHRM3
SCHEMBL7666599 0.69 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4CHRM5CHRM3
SCHEMBL16405081 0.69 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4CHRM5CHRM3
SCHEMBL634724 0.69 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4CHRM5CHRM3
Hydrochloric Acid SCHEMBL27828833 0.68 CHRNB2 (0.42) CHRNB2CHRNA7CHRNA4CHRM5CHRM3
Hydrochloric Acid SCHEMBL15169508 0.68 CHRNB2 (0.42) CHRNB2CHRNA7CHRNA4CHRM5CHRM3
Hydrochloric Acid SCHEMBL28603590 0.68 CHRNB2 (0.42) CHRNB2CHRNA7CHRNA4CHRM5CHRM3
SCHEMBL17791781 0.68 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4CHRM5CHRM3
SCHEMBL1813465 0.67 SCN10A (0.38) CHRNB2CHRNA7CHRNA4CHRM5CHRM3
SCHEMBL955469 0.67 CHRM2 (0.41) CHRNB2CHRNA7CHRNA4CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103819459-B Anti-Viral Compounds 艾伯维巴哈马有限公司 2017-05-17 CN disclosed
CN-103172620-B Anti-viral compounds Abbott Labaoratories (BS) 2014-10-29 CN disclosed
CN-103819459-A Anti-Viral Compounds Abbott Labaoratories 2014-05-28 CN disclosed
CN-103819537-A Anti-viral compounds Abbott Labaoratories 2014-05-28 CN disclosed
CN-102333772-B Antiviral compounds ABBOTT LAB 2013-12-11 CN disclosed
CN-103172620-A Anti-viral compounds Abbott Labaoratories 2013-06-26 CN disclosed
CN-102333772-A Antiviral compounds ABBOTT LAB 2012-01-25 CN disclosed
US-7166586-B2 Sulfonamide lactam inhibitors of FXa and method BRISTOL MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-7166586-B2 Sulfonamide lactam inhibitors of FXa and method BRISTOL MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-7166586-B2 Sulfonamide lactam inhibitors of FXa and method BRISTOL MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method O'CONNOR STEPHEN P (US) 2004-09-23 US disclosed
EP-1358178-A2 SULFONAMIDE LACTAM INHIBITORS OF FACTOR XA Bristol-Myers Squibb Company (US) 2003-11-05 EP disclosed
US-6555542-B1 Factor Xa (FXa); useful as anticoagulants in the treatment of cardiovascular diseases associated with thrombosis BRISTOL-MYERS SQUIBB COMPANY 2003-04-29 US disclosed
WO-2002060894-A2 SULFONAMIDE LACTAM INHIBITORS OF FACTOR XA BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 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-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method STS, SULT1E1, F8 CHRNB2 4869/4885CHRNA7 4629/4885CHRNA4 4607/4885

“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.