SCHEMBL606293

SCHEMBL606293

CNCCc1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.63
NQO2 P16083 1/20 0.62
TAAR1 Q96RJ0 3/20 0.55
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTR1A P08908 1/20 0.51
HTR2A P28223 1/20 0.51
HTT P42858 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HPGD P15428 1/20 0.51
SLC6A4 P31645 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
HRH1 P35367 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
IFNAR1 P17181 1/20 0.49

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 SCHEMBL27581438 0.98 MTNR1A (0.61) MTNR1ANQO2TAAR1KDM4EALDH1A1
SCHEMBL14105953 0.87 SLC6A4 (0.57) MTNR1ANQO2HTR1DHTR1BSLC6A4
SCHEMBL8794788 0.83 HPGD (0.64) MTNR1ANQO2HTTHPGDCYP1A2
SCHEMBL8858591 0.81 NQO2 (0.58) MTNR1ANQO2HTR2AHTR1BHPGD
SCHEMBL3047898 0.80 CYP1A2 (0.62) MTNR1ANQO2ALDH1A1CYP1A2CYP2D6
SCHEMBL24821313 0.80 HPGD (0.56) MTNR1ANQO2HTR2AHPGDIFNAR1
SCHEMBL3637276 0.80 MTNR1A (0.57) MTNR1ANQO2HTTHPGDCYP1A2
SCHEMBL19553634 0.80 MTNR1A (0.62) MTNR1ANQO2ALDH1A1HTR1AHTT
SCHEMBL29061337 0.80 MTNR1A (0.57) MTNR1ANQO2HTTHPGDCYP1A2
SCHEMBL2255099 0.80 MTNR1A (0.62) MTNR1ANQO2HTTHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
EP-4397674-A1 CASPASE-2 INHIBITOR COMPOUNDS Kintsugi Therapeutics S.L. (ES) 2024-07-10 EP disclosed
WO-2022268066-A1 PROTEIN DEGRADATION AGENT 苏州开拓药业股份有限公司 2022-12-29 WO disclosed
US-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 US disclosed
EP-3092244-B1 DIPEPTIDES AS INHIBITORS OF HUMAN IMMUNOPROTEASOMES UNIV CORNELL (US) 2019-08-14 EP disclosed
EP-2719384-B1 Novel 1-naphthyl-3-azabicyclo[3.1.0]hexanes:preparation and use to treat neuropsychiatric disorders OTSUKA AMERICA PHARMACEUTICAL INC (US) 2018-08-08 EP disclosed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US disclosed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US disclosed
US-20180186808-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME LLC 2018-07-05 US disclosed
US-20030181470-A1 Heterocyclic compounds and uses thereof as D-alanyl-D-alanine ligase inhibitors ESSENTIAL THERAPEUTICS, INC. 2003-09-25 US disclosed
WO-2003001887-A2 FUSED PYRIMIDINES AS D-ALANYL-D-ALANINE LIGASE INHIBITORS ESSENTIAL THERAPEUTICS, INC. (US) 2003-01-09 WO disclosed
EP-1073633-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 2001-02-07 EP disclosed
WO-1999057098-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 1999-11-11 WO disclosed
US-5453163-A Electrokinetic packing of capillary columns ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC 1995-09-26 US disclosed
EP-0259793-B1 NAPHTHYL DERIVATIVES, MEDICAMENTS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1992-07-01 EP disclosed
US-5089046-A Herbicides or miticide SANDOZ LTD. (CH) 1992-02-18 US disclosed
US-4871735-A HYPOTENSIVE, ANTIISCHEMIC AGENTS DR. KARL THOMAE GMBH 1989-10-03 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 (5 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-20180186808-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS NRDC, MME, NME2 MTNR1A 2624/4885NQO2 9/4885TAAR1 2735/4885
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 MTNR1A 2437/4885NQO2 3002/4885TAAR1 2357/4885
US-20030181470-A1 Heterocyclic compounds and uses thereof as D-alanyl-D-alanine ligase inhibitors AAAS, ALAD, NAALAD2 MTNR1A 4806/4885NQO2 1122/4885TAAR1 4400/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS MTNR1A 563/4885NQO2 4395/4885TAAR1 151/4885
US-10723727-B2 Tubulysin analogs and methods for their preparation NGLY1, TEK, TEKT1 MTNR1A 3423/4885NQO2 2979/4885TAAR1 3354/4885

“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.