SCHEMBL11638

SCHEMBL11638

Cc1ccc(CNCCCN)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.71
MC4R P32245 2/20 0.54
MC5R P33032 2/20 0.54
MC3R P41968 1/20 0.54
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
MEN1 O00255 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
SCHEMBL12414383 0.94 CHRM2 (0.75) CHRM2MC4RMC5RMC3RCA12
SCHEMBL4908750 0.92 CHRM2 (0.70) CHRM2MC4RMC5RMC3RCA12
SCHEMBL12085525 0.89 MC4R (0.63) CHRM2MC4RMC5RMC3RCA12
SCHEMBL4918917 0.88 CHRM2 (0.71) CHRM2MC4RMC5RCA12CA1
SCHEMBL4909529 0.88 CHRM2 (0.71) CHRM2MC4RMC5RCA12CA1
SCHEMBL4917375 0.88 CHRM2 (0.71) CHRM2MC4RMC5RCA12CA1
Norspermidine SCHEMBL713427 0.85 CYP1A2 (0.57) CHRM2CA12CA1CA2CA9
SCHEMBL10875163 0.84 MC4R (0.54) CHRM2MC4RMC5RMC3RHRH4
SCHEMBL12085625 0.83 MAOA (0.59) CHRM2MC4RMC5RMC3RCA12
SCHEMBL19456501 0.83 MAOA (0.59) CHRM2MC4RMC5RMC3RCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019013790-A1 ANTIMICROBIAL COMPOUNDS AND USES THEREOF CURZA GLOBAL, LLC (US) 2019-01-17 WO disclosed
WO-2019013789-A1 ANTIMICROBIAL COMPOUNDS CURZA GLOBAL, LLC (US) 2019-01-17 WO disclosed
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same SILICON VALLEY BANK 2017-11-09 US disclosed
US-9701628-B2 12-epi pleuromutilins NABRIVA THERAPEUTICS AG (AT) 2017-07-11 US disclosed
US-9573962-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-02-21 US disclosed
US-20160332963-A1 12-EPI PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2016-11-17 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
EP-2173724-B1 QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE INC (US) 2012-12-05 EP disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed
WO-2011047320-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed
WO-2011047319-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed
WO-2009002808-A2 QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2008-12-31 WO disclosed
WO-2007117180-A1 AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) 2007-10-18 WO disclosed
EP-0199974-A2 Nitromethylene-tetrahydropyrimidine NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-11-05 EP disclosed
US-4267102-A Bleomycin group antibiotics NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-05-12 US disclosed
US-RE30451-E ANTITUMOR AGENTS Zaidan Jojin Biseibutsu Kagaku Kenkyu Kai (JP) 1980-12-16 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 (4 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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT CHRM2 4820/4885MC4R 2989/4885MC5R 3036/4885
US-20160332963-A1 12-EPI PLEUROMUTILINS MLN, TCF12, PLEC CHRM2 1826/4885MC4R 349/4885MC5R 806/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CHRM2 4820/4885MC4R 2989/4885MC5R 3036/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT CHRM2 4814/4885MC4R 3103/4885MC5R 3126/4885

“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.