SCHEMBL784819

SCHEMBL784819

CN(C(=O)OCc1ccccc1)C1CCCNC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.53
TSHR P16473 1/20 0.45
HTR2C P28335 1/20 0.45
ENPP2 Q13822 1/20 0.45
SLC6A2 P23975 9/20 0.45
SLC6A4 P31645 9/20 0.45
KCNH2 Q12809 3/20 0.45
SLC6A3 Q01959 6/20 0.44
CYP2D6 P10635 5/20 0.44
CHRM3 P20309 1/20 0.44
CCR5 P51681 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL29418568 1.00 SIGMAR1 (0.53) SIGMAR1TSHRHTR2CENPP2SLC6A2
Hydrochloric Acid SCHEMBL1624880 0.99 SIGMAR1 (0.52) SIGMAR1TSHRHTR2CENPP2SLC6A2
SCHEMBL29418490 0.96 SIGMAR1 (0.55) SIGMAR1TSHRHTR2CENPP2SLC6A2
SCHEMBL10565202 0.92 SLC6A2 (0.52) SIGMAR1TSHRHTR2CSLC6A2SLC6A4
SCHEMBL13738856 0.92 SLC6A2 (0.52) SIGMAR1TSHRHTR2CSLC6A2SLC6A4
SCHEMBL7762819 0.92 SLC6A2 (0.52) SIGMAR1TSHRHTR2CSLC6A2SLC6A4
SCHEMBL803682 0.90 SIGMAR1 (0.53) SIGMAR1TSHRHTR2CENPP2SLC6A4
SCHEMBL1224067 0.87 HTR2C (0.55) SIGMAR1TSHRHTR2CENPP2SLC6A2
SCHEMBL20863082 0.86 SLC6A2 (0.50) SIGMAR1TSHRHTR2CENPP2SLC6A2
SCHEMBL17707888 0.86 SLC6A2 (0.50) SIGMAR1TSHRHTR2CENPP2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192645-A1 INDOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-06-22 US disclosed
US-20210107891-A1 INDOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-04-15 US disclosed
US-20200165222-A1 INDOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-05-28 US disclosed
EP-3461821-B1 INDOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-13 EP disclosed
US-10604504-B2 Indole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-31 US disclosed
US-20190248760-A1 INDOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-08-15 US disclosed
US-10329274-B2 Indole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-25 US disclosed
US-20190119245-A1 INDOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-04-25 US disclosed
EP-3461821-A1 INDOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2019-04-03 EP disclosed
US-9920031-B2 Indole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 US disclosed
EP-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP disclosed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US disclosed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US disclosed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US disclosed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 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 (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-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX SIGMAR1 2218/4885TSHR 2356/4885HTR2C 4799/4885
US-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 SIGMAR1 882/4885TSHR 4639/4885HTR2C 4855/4885
US-20190248760-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 SIGMAR1 1668/4885TSHR 877/4885HTR2C 1098/4885
US-20230192645-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 SIGMAR1 1668/4885TSHR 877/4885HTR2C 1098/4885
US-10329274-B2 Indole carboxamide compounds BTK, JAK2, BRD4 SIGMAR1 1668/4885TSHR 877/4885HTR2C 1098/4885
US-20190119245-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 SIGMAR1 1668/4885TSHR 877/4885HTR2C 1098/4885
US-20210107891-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 SIGMAR1 1668/4885TSHR 877/4885HTR2C 1098/4885
US-20200165222-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 SIGMAR1 1668/4885TSHR 877/4885HTR2C 1098/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX SIGMAR1 2218/4885TSHR 2356/4885HTR2C 4799/4885
US-10604504-B2 Indole carboxamide compounds BTK, JAK2, BRD4 SIGMAR1 1668/4885TSHR 877/4885HTR2C 1098/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 SIGMAR1 369/4885TSHR 586/4885HTR2C 549/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX SIGMAR1 2218/4885TSHR 2356/4885HTR2C 4799/4885

“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.