SCHEMBL82083

SCHEMBL82083

N[C@H](CO)COCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.56
CA1 P00915 4/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
SLC1A1 P43005 1/20 0.53
TSHR P16473 1/20 0.52
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
EPHX1 P07099 1/20 0.43
IDO1 P14902 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2031567 1.00 TACR1 (0.56) TACR1CA1CA2CA7CA9
SCHEMBL335619 1.00 TACR1 (0.56) TACR1CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL4198860 0.98 TACR1 (0.54) TACR1CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL4198864 0.98 TACR1 (0.54) TACR1CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL2444541 0.98 TACR1 (0.54) TACR1CA1CA2CA7CA9
SCHEMBL18394417 0.88 TACR1 (0.63) TACR1CA1CA2CA7CA9
SCHEMBL7967707 0.84 TACR1 (0.59) TACR1CA1CA2CA7CA9
SCHEMBL7965700 0.84 TACR1 (0.59) TACR1CA1CA2CA7CA9
SCHEMBL2781643 0.84 TACR1 (0.59) TACR1CA1CA2CA7CA9
SCHEMBL18579714 0.82 TACR1 (0.73) TACR1CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024259171-A9 KEAP1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. (US) 2025-01-23 WO disclosed
US-20250011291-A1 KEAP1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. 2025-01-09 US disclosed
WO-2024259171-A2 KEAP1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. (US) 2024-12-19 WO disclosed
US-20240279238-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2024-08-22 US disclosed
US-20230053411-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-02-23 US disclosed
EP-3045206-B2 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2023-02-15 EP disclosed
CN-110256418-B 1, 3-thiazol-2-yl substituted benzamides 拜耳公司 2023-01-20 CN disclosed
EP-3587417-B9 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AG (DE) 2022-03-30 EP disclosed
US-11267823-B2 Substituted 1,2,3,3a,4,5,7,9,13,13a-decahydropyrido[1′,2′:4,5]pyrazino[1,2-a]pyrrolo[1,2-c]pyrimidines having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2022-03-08 US disclosed
US-11229646-B2 Method for treating gonorrhea with (2R)-2-({4-[(3,4-dihydro-2H-pyrano[2,3-C]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2A,5,8A-triazaacenaphthylene-3,8-dione GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2022-01-25 US disclosed
US-20020048588-A1 Aminoalkyl glucosaminide phosphate compounds and their use as adjuvants and immunoeffectors CORIXA CORPORATION 2002-04-25 US disclosed
US-6355257-B1 Aminoalkyl glucosamine phosphate compounds and their use as adjuvants and immunoeffectors CORIXA CORPORATION 2002-03-12 US disclosed
US-6303347-B1 VACCINES CORIXA CORPORATION 2001-10-16 US disclosed
WO-2001034617-A2 AMINOALKYL GLUCOSAMINIDE PHOSPHATE COMPOUNDS AND THEIR USE AS ADJUVANTS AND IMMUNOEFFECTORS CORIXA CORPORATION (US) 2001-05-17 WO disclosed
US-6177562-B1 Chelated complexes of paramagnetic metals with low toxicity DIBRA S.P.A. (IT) 2001-01-23 US disclosed
US-6149890-A 12-CROWN-4-AMINE DERIVATIVE DIAGNOSTIC CONTRAST AGENT FOR MAGNETIC RESONANCE IMAGING DIBRA S.P.A. (IT) 2000-11-21 US disclosed
US-6113918-A IMMUNOLOGY RIBI IMMUNOCHEM RESEARCH, INC. (US) 2000-09-05 US disclosed
CN-1265112-A Aminoalkyl glucosamine phosphate compounds and their use as adjuvants and immunoeffectors KRIKSA LTD (US) 2000-08-30 CN disclosed
EP-0872479-A1 Chelated complexes of paramagnetic metals with low toxicity BRACCO S.p.A. (IT) 1998-10-21 EP disclosed
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 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 (6 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-20230053411-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 TACR1 842/4885CA1 1570/4885CA2 1375/4885
US-20020048588-A1 Aminoalkyl glucosaminide phosphate compounds and their use as adjuvants and immunoeffectors DNPEP, CD68, MGAT3 TACR1 1630/4885CA1 2584/4885CA2 1308/4885
US-11267823-B2 Substituted 1,2,3,3a,4,5,7,9,13,13a-decahydropyrido[1′,2′:4,5]pyrazino[1,2-a]pyrrolo[1,2-c]pyrimidines having HIV integrase inhibitory activity TYMP, TYMS, POLA1 TACR1 3650/4885CA1 4838/4885CA2 4687/4885
US-20240279238-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY TYMP, CDKN1A, POLL TACR1 3628/4885CA1 4722/4885CA2 3601/4885
US-20250011291-A1 KEAP1 INHIBITORS AND USES THEREOF KEAP1, NFE2L2, NQO1 TACR1 4613/4885CA1 4860/4885CA2 4545/4885
US-11229646-B2 Method for treating gonorrhea with (2R)-2-({4-[(3,4-dihydro-2H-pyrano[2,3-C]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2A,5,8A-triazaacenaphthylene-3,8-dione GMPS, GNE, DHPS TACR1 1197/4885CA1 4541/4885CA2 3565/4885

“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.