SCHEMBL903590

SCHEMBL903590

N[C@H](COCc1ccccc1)Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.73
EPHX1 P07099 1/20 0.61
TSHR P16473 1/20 0.54
ANPEP P15144 1/20 0.53
SCN4A P35499 2/20 0.53
LTA4H P09960 1/20 0.51
CA1 P00915 4/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
SLC1A1 P43005 1/20 0.50

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
SCHEMBL18579714 1.00 TACR1 (0.73) TACR1EPHX1TSHRANPEPSCN4A
SCHEMBL18579716 1.00 TACR1 (0.73) TACR1EPHX1TSHRANPEPSCN4A
Hydrochloric Acid SCHEMBL6735402 0.98 TACR1 (0.71) TACR1EPHX1TSHRANPEPSCN4A
Hydrochloric Acid SCHEMBL901442 0.98 TACR1 (0.71) TACR1EPHX1TSHRANPEPSCN4A
Hydrochloric Acid SCHEMBL6898377 0.98 TACR1 (0.71) TACR1EPHX1TSHRANPEPSCN4A
SCHEMBL18394417 0.90 TACR1 (0.63) TACR1EPHX1TSHRCA1CA2
SCHEMBL903565 0.86 TACR1 (0.57) TACR1EPHX1ANPEPCA1SLC1A1
SCHEMBL7967707 0.86 TACR1 (0.59) TACR1EPHX1TSHRCA1CA2
SCHEMBL7965700 0.86 TACR1 (0.59) TACR1EPHX1TSHRCA1CA2
SCHEMBL2781643 0.86 TACR1 (0.59) TACR1EPHX1TSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2025-01-14 US disclosed
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2023-01-05 US disclosed
CN-108368083-B Heteroaryl compounds and their use as therapeutic agents 东亚首希控股股份有限公司 2022-02-01 CN disclosed
US-10947215-B2 Heteroaryl compounds and their use as therapeutic drugs DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2021-03-16 US disclosed
US-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 US disclosed
EP-3344613-B1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2020-03-04 EP disclosed
US-20190119252-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2019-04-25 US disclosed
CN-103826661-B Novel binding agent-drug conjugates (ADCs) and uses thereof 西雅图基因公司 2019-03-05 CN disclosed
US-10125118-B2 Heteroaryl compounds and their use as therapeutic drugs DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2018-11-13 US disclosed
CN-108368083-A heteroaryl compounds and their use as therapeutic agents 东亚首希控股股份有限公司 2018-08-03 CN disclosed
WO-2012143496-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
WO-2012143499-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
WO-2012143495-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
WO-2012041805-A1 N-CARBOXYALKYL AURISTATINS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-05 WO disclosed
US-RE39088-E1 Amide compounds and use of the same JAPAN TOBACCO, INC. (JP) 2006-05-02 US disclosed
EP-0849256-B1 AMIDE COMPOUNDS AND USE OF THE SAME JAPAN TOBACCO INC (JP) 2005-06-08 EP disclosed
EP-1304322-A2 Carboxylic acid compound and use thereof Japan Tobacco Inc. (JP) 2003-04-23 EP disclosed
US-6420561-B1 Amide compounds and use thereof JAPAN TOBACCO INC. (JP) 2002-07-16 US disclosed
US-6174887-B1 Amide compounds and use of the same JAPAN TOBACCO INC. (JP) 2001-01-16 US disclosed
EP-0849256-A1 AMIDE COMPOUNDS AND USE OF THE SAME Japan Tobacco Inc. (JP) 1998-06-24 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-10947215-B2 Heteroaryl compounds and their use as therapeutic drugs MERTK, ERBB2, SRC TACR1 801/4885EPHX1 2799/4885TSHR 1878/4885
US-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs MERTK, ERBB2, SRC TACR1 801/4885EPHX1 2799/4885TSHR 1878/4885
US-10125118-B2 Heteroaryl compounds and their use as therapeutic drugs MERTK, ERBB2, SRC TACR1 801/4885EPHX1 2799/4885TSHR 1878/4885
US-20190119252-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC TACR1 801/4885EPHX1 2799/4885TSHR 1878/4885
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC TACR1 801/4885EPHX1 2799/4885TSHR 1878/4885
US-10723727-B2 Tubulysin analogs and methods for their preparation NGLY1, TEK, TEKT1 TACR1 906/4885EPHX1 3877/4885TSHR 2105/4885

“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.