SCHEMBL634724

SCHEMBL634724

c1c[nH]c([C@@H]2CCCN2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
CHRNA7 P36544 2/20 0.43
ADRA1A P35348 3/20 0.41
ADRA2A P08913 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.39
MEN1 O00255 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CHRM5 P08912 3/20 0.37
CHRM3 P20309 3/20 0.37
CHRM1 P11229 2/20 0.37

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
SCHEMBL16405081 1.00 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7ADRA1AADRA2A
SCHEMBL7666599 1.00 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7ADRA1AADRA2A
Hydrochloric Acid SCHEMBL27828833 0.98 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7ADRA1AADRA2A
Hydrochloric Acid SCHEMBL15169508 0.98 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7ADRA1AADRA2A
Hydrochloric Acid SCHEMBL28603590 0.98 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7ADRA1AADRA2A
SCHEMBL6173530 0.94 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA7ADRA1AADRA2A
Naphthalene SCHEMBL27966102 0.90 ADRA1A (0.45) CHRNB2CHRNA4CHRNA7ADRA1AADRA2A
Acetic Acid SCHEMBL27758904 0.89 CREBBP (0.38) CHRNB2CHRNA4CHRNA7ADRA1AADRA2A
SCHEMBL27651097 0.76 ADRA1A (0.40) ADRA1AADRA2AADRA1DADRA1BSMN1; SMN2
SCHEMBL1494449 0.71

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101558059-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-12-03 CN claimed
CN-102712628-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2014-10-15 CN claimed
CN-102712628-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-10-03 CN claimed
CN-101558059-A Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-10-14 CN claimed
WO-2021123785-A1 DNA POLYMERASE THETA INHIBITORS ARTIOS PHARMA LIMITED (GB) 2021-06-24 WO disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
EP-2900656-B1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO LTD (CN) 2017-05-17 EP disclosed
CN-103819459-B Anti-Viral Compounds 艾伯维巴哈马有限公司 2017-05-17 CN disclosed
US-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-05-11 US disclosed
US-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-05-11 US disclosed
US-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-05-11 US disclosed
EP-2379524-A1 SEROTONIN 5-HT2B RECEPTOR INHIBITORS Boehringer Ingelheim International GmbH (DE) 2011-10-26 EP disclosed
EP-2337781-A2 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION Abbott Laboratories (US) 2011-06-29 EP disclosed
CN-101998952-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2011-03-30 CN disclosed
WO-2010120621-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-21 WO disclosed
WO-2010080357-A1 SEROTONIN 5-HT2B RECEPTOR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-15 WO disclosed
CN-101558059-A Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-10-14 CN disclosed
CN-101534829-A Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-09-16 CN disclosed
CN-101528232-A Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-09-09 CN 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 (2 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL CHRNB2 4763/4885CHRNA4 4749/4885CHRNA7 4579/4885
US-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS BET1, PRR12, PREP CHRNB2 4884/4885CHRNA4 4875/4885CHRNA7 4839/4885

“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.