SCHEMBL847045

SCHEMBL847045

C[C@@H](Cc1cncn1C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 4/20 0.40
▸ CHRM5 P08912 3/20 0.37
▸ MLYCD O95822 1/20 0.37
▸ ACE2 Q9BYF1 4/20 0.36
▸ ACE P12821 3/20 0.36
▸ CHRM4 P08173 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CHRM3 P20309 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ CYP2A13 Q16696 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 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
SCHEMBL25243731 0.84 CHRM5 (0.38) TBXAS1CHRM5CHRM4CHRM1CYP2C9
SCHEMBL15592499 0.83 NR4A2 (0.36) CHRM5ACE2ACECHRM4CHRM1
SCHEMBL25762086 0.82 CYP11B1 (0.36) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL8824879 0.81 SLC1A3 (0.51) CYP3A4
SCHEMBL4587261 0.81 SLC1A3 (0.51) CYP3A4
SCHEMBL28559 0.81 SLC1A3 (0.51) CYP3A4
SCHEMBL28560 0.81 SLC1A3 (0.51) CYP3A4
Hydrochloric Acid SCHEMBL7049998 0.80 SLC1A3 (0.50) CYP3A4
SCHEMBL13046895 0.79 ACE2 (0.41) CHRM5ACE2ACECHRM4CHRM1
SCHEMBL20839555 0.78 ACE2 (0.40) CHRM5ACE2ACECHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 — — US disclosed
US-9303007-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-05 — — US disclosed
US-20150322031-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 — — US disclosed
US-20150322048-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 — — US disclosed
US-20150197499-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-07-16 — — US disclosed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 — — US disclosed
US-9006455-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-14 — — US disclosed
US-8822444-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 — — US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 — — US disclosed
US-8143414-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 — — US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 — — US disclosed
US-20110286961-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-24 — — US disclosed
US-20110281910-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-17 — — US disclosed
US-20110274648-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 — — US disclosed
US-20110269956-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 — — US disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 — — US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 — — US disclosed
US-20110130433-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-06-02 — — US disclosed
US-20110098327-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 — — 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 (14 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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS TBXAS1 1399/4885CHRM5 4828/4885MLYCD 1159/4885
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL TBXAS1 2196/4885CHRM5 4384/4885MLYCD 1133/4885
US-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 TBXAS1 3578/4885CHRM5 4855/4885MLYCD 1667/4885
US-20110286961-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TBXAS1 2177/4885CHRM5 4381/4885MLYCD 1170/4885
US-20110281910-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS TBXAS1 1417/4885CHRM5 4834/4885MLYCD 1233/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TBXAS1 2177/4885CHRM5 4381/4885MLYCD 1170/4885
US-20150322031-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TBXAS1 2177/4885CHRM5 4381/4885MLYCD 1170/4885
US-20150197499-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TBXAS1 2177/4885CHRM5 4381/4885MLYCD 1170/4885
US-20110269956-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, MAVS TBXAS1 2773/4885CHRM5 4733/4885MLYCD 635/4885
US-20110130433-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS TBXAS1 1399/4885CHRM5 4828/4885MLYCD 1159/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TBXAS1 2177/4885CHRM5 4381/4885MLYCD 1170/4885
US-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS TBXAS1 1376/4885CHRM5 4850/4885MLYCD 1273/4885
US-20150322048-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TBXAS1 2177/4885CHRM5 4381/4885MLYCD 1170/4885
US-20110274648-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TBXAS1 2177/4885CHRM5 4381/4885MLYCD 1170/4885

“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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