SCHEMBL3595828

SCHEMBL3595828

C[C@@H](c1ccccc1)N1CC[C@H](C(=O)O)[C@@H]1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CCR5 P51681 1/20 0.42
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
OPRL1 P41146 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CHRM2 P08172 3/20 0.40
CHRM4 P08173 3/20 0.40
CHRM5 P08912 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.39
MC4R P32245 1/20 0.39
HTR1A P08908 2/20 0.38
DRD4 P21917 1/20 0.38
ACE P12821 1/20 0.38

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
SCHEMBL21334004 1.00 KMT2A (0.43) KMT2ACYP2D6KDM4ECCR5OPRM1
SCHEMBL20594755 1.00 KMT2A (0.43) KMT2ACYP2D6KDM4ECCR5OPRM1
SCHEMBL20594447 1.00 KMT2A (0.43) KMT2ACYP2D6KDM4ECCR5OPRM1
SCHEMBL21334003 1.00 KMT2A (0.43) KMT2ACYP2D6KDM4ECCR5OPRM1
SCHEMBL20594448 1.00 KMT2A (0.43) KMT2ACYP2D6KDM4ECCR5OPRM1
SCHEMBL21338814 0.86 CYP1A2 (0.48) KMT2ACYP2D6ALDH1A1
SCHEMBL16671440 0.86 CYP1A2 (0.48) KMT2ACYP2D6ALDH1A1
SCHEMBL21338822 0.86 CYP1A2 (0.48) KMT2ACYP2D6ALDH1A1
SCHEMBL22053384 0.86 CYP1A2 (0.48) KMT2ACYP2D6ALDH1A1
SCHEMBL3614301 0.86 CYP1A2 (0.48) KMT2ACYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993595-B2 Compounds MISSION THERAPEUTICS LIMITED (GB) 2024-05-28 US disclosed
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
EP-3828179-A1 CYANOPYRROLIDINES AS DUB MODULATORS Mission Therapeutics Limited (GB) 2021-06-02 EP disclosed
US-20200369658-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2020-11-26 US disclosed
US-10774078-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2020-09-15 US disclosed
EP-3197883-B1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2020-03-18 EP disclosed
US-20190330202-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2019-10-31 US disclosed
US-10392380-B2 Compounds MISSION THERAPEUTICS LIMITED (GB) 2019-08-27 US disclosed
US-10377709-B2 Carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2019-08-13 US disclosed
US-20190002406-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2019-01-03 US disclosed
US-9926307-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2018-03-27 US disclosed
US-20180065929-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2018-03-08 US disclosed
EP-3060547-B1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2017-10-11 EP disclosed
US-20170247365-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2017-08-31 US disclosed
US-9567299-B2 Carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2017-02-14 US disclosed
US-20160264522-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN INFECTIOUS DISEASES BVBA (BE) 2016-09-15 US disclosed
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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 (12 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-20190002406-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B HCCS, XDH, NR1H4 KMT2A 1461/4885CYP2D6 324/4885KDM4E 1093/4885
US-20180065929-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B HCCS, NR1H4, GLS2 KMT2A 1413/4885CYP2D6 220/4885KDM4E 985/4885
US-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 KMT2A 2365/4885CYP2D6 614/4885KDM4E 1187/4885
US-10774078-B2 Compounds UCHL1, UCHL3, UCHL5 KMT2A 280/4885CYP2D6 2375/4885KDM4E 175/4885
US-10377709-B2 Carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B HCCS, XDH, NR1H4 KMT2A 1461/4885CYP2D6 324/4885KDM4E 1093/4885
US-20160264522-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B HCCS, XDH, NR1H4 KMT2A 1461/4885CYP2D6 324/4885KDM4E 1093/4885
US-10392380-B2 Compounds UCHL1, UCHL3, UCHL5 KMT2A 280/4885CYP2D6 2375/4885KDM4E 175/4885
US-11993595-B2 Compounds UCHL1, UCHL3, UCHL5 KMT2A 280/4885CYP2D6 2375/4885KDM4E 175/4885
US-20200369658-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 KMT2A 313/4885CYP2D6 2710/4885KDM4E 178/4885
US-20190330202-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 KMT2A 313/4885CYP2D6 2710/4885KDM4E 178/4885
US-20170247365-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 KMT2A 313/4885CYP2D6 2710/4885KDM4E 178/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 KMT2A 313/4885CYP2D6 2710/4885KDM4E 178/4885

“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.