SCHEMBL197934

SCHEMBL197934

NCC(C(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.57
GABBR2 O75899 2/20 0.53
GABBR1 Q9UBS5 2/20 0.53
TAAR1 Q96RJ0 3/20 0.52
HTR2A P28223 1/20 0.52
EPHX1 P07099 1/20 0.52
CYP2D6 P10635 1/20 0.50
SRC P12931 1/20 0.50
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.47
CPN1 P15169 1/20 0.46
CPB2 Q96IY4 1/20 0.46

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
SCHEMBL7319347 1.00 CYP2C19 (0.57) CYP2C19GABBR2GABBR1TAAR1HTR2A
SCHEMBL7319341 1.00 CYP2C19 (0.57) CYP2C19GABBR2GABBR1TAAR1HTR2A
Hydrochloric Acid SCHEMBL7609245 0.98 CYP2C19 (0.55) CYP2C19GABBR2GABBR1TAAR1HTR2A
SCHEMBL28332935 0.91 CPN1 (0.48) CYP2C19GABBR2GABBR1EPHX1CYP2D6
SCHEMBL27543440 0.89 PTGS2 (0.55) CYP2C19GABBR2GABBR1TAAR1HTR2A
SCHEMBL1310192 0.88 CHRNB2 (0.57) CYP2C19GABBR2GABBR1
SCHEMBL27582649 0.86 GABBR2 (0.53) CYP2C19GABBR2GABBR1TAAR1HTR2A
SCHEMBL637030 0.84 EPHX1 (0.66) CYP2C19GABBR2GABBR1TAAR1HTR2A
SCHEMBL12323888 0.84 EPHX1 (0.66) CYP2C19GABBR2GABBR1TAAR1HTR2A
SCHEMBL11136320 0.83 CYP2C19 (0.40) CYP2C19GABBR2GABBR1EPHX1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023137366-A2 DE NOVO DESIGNED MACROCYCLIC OLIGOAMIDES UNIVERSITY OF WASHINGTON (US) 2023-07-20 WO claimed
US-20220077099-A1 COMPOSITION FOR CONDUCTIVE ADHESIVE, SEMICONDUCTOR PACKAGE COMPRISING CURED PRODUCT THEREOF, AND METHOD OF MANUFACTURING SEMICONDUCTOR PACKAGE USING THE SAME ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2022-03-10 US claimed
CN-113956270-A Preparation method of main degradation product of ceforanide 成都大学 2022-01-21 CN claimed
US-20210154312-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE, INC. 2021-05-27 US claimed
US-10912840-B2 Conjugates for treating diseases caused by PSMA expressing cells ENDOCYTE, INC. (US) 2021-02-09 US claimed
US-20180256737-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE, INC. 2018-09-13 US claimed
CN-108042811-A For treating the conjugate of the disease as caused by PSMA expression cells 恩多塞特公司 2018-05-18 CN claimed
US-20160361433-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE INC (US) 2016-12-15 US claimed
US-20160361432-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE INC (IN) 2016-12-15 US claimed
US-20150297735-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE, INC. 2015-10-22 US claimed
WO-2009117095-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-09-24 WO claimed
WO-2009067639-A2 VARIANTS OF C-TYPE NATRIURETIC PEPTIDE BIOMARIN PHARMACEUTICAL INC. (US) 2009-05-28 WO claimed
CN-101380317-A Pharmaceutical composition for relieving pruritus CAYMAN ISLAND SHANGANSHENG DEV (CN) 2009-03-11 CN claimed
US-20090062521-A1 AMIDITE FOR SYNTHESIZING MODIFIED NUCLEIC ACID AND METHOD FOR SYNTHESIZING MODIFIED NUCLEIC ACID FUJITSU LIMITED (JP) 2009-03-05 US claimed
US-20080193984-A1 Process For Producing Amino Acid Derivative From Hydroxyimino Acid AJINOMOTO CO., INC. (JP) 2008-08-14 US claimed
EP-1316542-A1 3-AMINO-1-INDANOLE, METHOD OF SYNTHESIZING THE SAME AND METHOD OF OPTICAL RESOLUTION Daicel Chemical Industries, Ltd. (JP) 2003-06-04 EP claimed
US-20020177736-A1 3-AMINO-1-INDANOLE, METHOD OF SYNTHESIZING THE SAME AND METHOD OF OPTICAL RESOLUTION DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-28 US claimed
US-6479702-B1 3-amino-1-indanole, method of synthesizing the same and method of optical resolution DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-12 US claimed
US-5656448-A Dipstick immunoassay device PRINCETON BIOMEDITECH CORPORATION (US) 1997-08-12 US claimed
CN-1088908-A The chemical process of preparation 2-(2-aminomethyl phenyl)-3-methoxy-methyl acrylate ZENECA LTD (GB) 1994-07-06 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20210154312-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 CYP2C19 4553/4885GABBR2 4421/4885GABBR1 4571/4885
US-20160361432-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 CYP2C19 4553/4885GABBR2 4421/4885GABBR1 4571/4885
US-20160361433-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 CYP2C19 4553/4885GABBR2 4421/4885GABBR1 4571/4885
US-20020177736-A1 3-AMINO-1-INDANOLE, METHOD OF SYNTHESIZING THE SAME AND METHOD OF OPTICAL RESOLUTION CYP51A1, IDO1, CYP8B1 CYP2C19 238/4885GABBR2 1160/4885GABBR1 1168/4885
US-10912840-B2 Conjugates for treating diseases caused by PSMA expressing cells FOLH1, KLK3, CD47 CYP2C19 4553/4885GABBR2 4421/4885GABBR1 4571/4885
US-20090062521-A1 AMIDITE FOR SYNTHESIZING MODIFIED NUCLEIC ACID AND METHOD FOR SYNTHESIZING MODIFIED NUCLEIC ACID NSUN2, RNMT, ADAR CYP2C19 2244/4885GABBR2 4226/4885GABBR1 4676/4885
US-20150297735-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 CYP2C19 4553/4885GABBR2 4421/4885GABBR1 4571/4885
US-20180256737-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 CYP2C19 4553/4885GABBR2 4421/4885GABBR1 4571/4885

“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.