SCHEMBL793707

SCHEMBL793707

NCCc1ccc(F)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.69
PNMT P11086 1/20 0.69
MAOB P27338 5/20 0.50
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ADRA2A P08913 2/20 0.47
MAPT P10636 2/20 0.47
DRD2 P14416 2/20 0.47
DRD1 P21728 2/20 0.47
DRD4 P21917 2/20 0.47
DRD5 P21918 2/20 0.47
SLC6A2 P23975 2/20 0.47
MAPK1 P28482 2/20 0.47
DRD3 P35462 2/20 0.47
RECQL P46063 2/20 0.47
SLC6A3 Q01959 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 1/20 0.47

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
Hydrochloric Acid SCHEMBL3271461 0.98 TAAR1 (0.67) TAAR1PNMTMAOBGLASMN1; SMN2
SCHEMBL20019811 0.88 TAAR1 (0.53) TAAR1PNMTGLASMN1; SMN2SIGMAR1
Hydrochloric Acid SCHEMBL15518193 0.86 TAAR1 (0.52) TAAR1PNMTMAOBGLASMN1; SMN2
SCHEMBL42421 0.84 CSNK2A1 (0.50) TAAR1PNMTSLC6A3
SCHEMBL29487194 0.84 CSNK2A1 (0.50) TAAR1PNMTSLC6A3
SCHEMBL3990851 0.84 MAOB (0.64) TAAR1PNMTMAOB
SCHEMBL23850015 0.83 TAAR1 (0.47) TAAR1PNMTSIGMAR1MAPTALDH1A1
SCHEMBL793767 0.83 TAAR1 (0.69) TAAR1PNMTMAOBGLASMN1; SMN2
SCHEMBL184185 0.82 TAAR1 (1.00) TAAR1PNMTMAOBGLASMN1; SMN2
SCHEMBL17552730 0.81 TAAR1 (0.45) TAAR1PNMTSIGMAR1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
CN-111848494-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-10-30 CN disclosed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
EP-3233858-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 EP disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
EP-3131877-A1 GUANIDINE COMPOUNDS AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-02-22 EP disclosed
WO-2016100050-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2016095089-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
CN-1303389-A 3 ', 3' -N-disubstituted macrolide Luteinizing Hormone Releasing Hormone (LHRH) antagonists ABBOTT LAB (US) 2001-07-11 CN disclosed
EP-1066307-A1 3',3'-N-BIS-SUBSTITUTED MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2001-01-10 EP disclosed
EP-1066304-A1 MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2001-01-10 EP disclosed
WO-2000012521-A1 3', 3'-N-BIS-DESMETHYL-3'-N-CYCLOALKYL ERYTHROMYCIN DERIVATIVES AS LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2000-03-09 WO disclosed
WO-2000012522-A1 MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2000-03-09 WO disclosed
US-6020521-A Macrolide LHRH antagonists ABBOTT LABORATORIES (US) 2000-02-01 US disclosed
US-5972898-A ERYTHROMYCIN A DERIVATIVES AS LUTENIZING HORMONE RELEASING HORMONE (LHRH) ANTAGONISTS, AND METHODS OF THEIR PREPARATION ABBOTT LABORATORIES (US) 1999-10-26 US disclosed
WO-1999050275-A2 MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1999-10-07 WO disclosed
WO-1999050276-A1 3',3'-N-BIS-SUBSTITUTED MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1999-10-07 WO disclosed
US-5955440-A 3'-N-DESMETHYL-3'-N-SUBSTITUTED-6-O-METHYL-11-DEOXY-11,12-CYCL IC CARBAMATE ERYTHROMYCIN A DERIVATIVES ABBOTT LABORATORIES (US) 1999-09-21 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 (1 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-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 TAAR1 4576/4885PNMT 545/4885MAOB 1450/4885

“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.