SCHEMBL1759063

SCHEMBL1759063

O=[C]Cc1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.55
PNMT P11086 2/20 0.54
CYP3A4 P08684 2/20 0.48
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
HTR3E A5X5Y0 3/20 0.46
HTR3B O95264 3/20 0.46
HTR3A P46098 3/20 0.46
HTR3D Q70Z44 3/20 0.46
HTR3C Q8WXA8 3/20 0.46
CTBP2 P56545 1/20 0.44
CHRM2 P08172 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
PYCR1 P32322 1/20 0.43
AOC3 Q16853 1/20 0.43

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
SCHEMBL6895272 0.84 MEN1 (0.41) TAAR1
SCHEMBL96829 0.79 TAAR1 (0.57) TAAR1PNMTCYP3A4IDO1AGXT
SCHEMBL29700969 0.78 PNMT (0.54) TAAR1PNMTCYP3A4IDO1AGXT
SCHEMBL37581 0.78 PNMT (0.54) TAAR1PNMTCYP3A4IDO1AGXT
SCHEMBL5321590 0.78 PYCR1 (0.56) TAAR1PNMTCYP3A4IDO1AGXT
SCHEMBL2952761 0.78 PNMT (0.54) TAAR1PNMTCYP3A4IDO1AGXT
SCHEMBL27816335 0.78 PNMT (0.54) TAAR1PNMTCYP3A4IDO1AGXT
SCHEMBL4176549 0.77 TSHR (0.42) TAAR1PNMTCYP3A4IDO1HTR3E
SCHEMBL5539186 0.76 TAAR1 (0.53) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL28665834 0.75 PNMT (0.50) TAAR1PNMTCYP3A4IDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880764-B Sinomenine derivative and preparation method and application thereof 北京师范大学 2023-04-18 CN claimed
CN-113880764-A Sinomenine derivative and preparation method and application thereof 北京师范大学 2022-01-04 CN claimed
EP-3743061-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS Pascal Biosciences Inc. (CA) 2020-12-02 EP claimed
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 US claimed
WO-2019144126-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS PASCAL BIOSCIENCES INC. (CA) 2019-07-25 WO claimed
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2017-05-18 US claimed
EP-3126376-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS Monash University (AU) 2017-02-08 EP claimed
WO-2015149131-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2015-10-08 WO claimed
WO-2015109451-A1 SYNTHESIS OF COMPOUNDS CONTAINING 8-OXA-3-AZABICYCLO (3.2.1)OCTANE RING RHODIA OPERATIONS (FR) 2015-07-30 WO claimed
CN-101583352-A Preparation and use of biphenyl amino acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORP (US) 2009-11-18 CN claimed
US-20050038230-A1 Linear and cyclic melanocortin receptor-specific peptides PALATIN TECHNOLOGIES, INC. (US) 2005-02-17 US claimed
EP-1441750-A2 LINEAR AND CYCLIC MELANOCORTIN RECEPTOR-SPECIFIC PEPTIDES Palatin Technologies, Inc. (US) 2004-08-04 EP claimed
WO-2003006620-A2 LINEAR AND CYCLIC MELANOCORTIN RECEPTOR-SPECIFIC PEPTIDES PALATIN TECHNOLOGIES, INC. (US) 2003-01-23 WO claimed
EP-0315367-B1 Polypeptides ICI PLC (GB) 1994-04-06 EP claimed
US-5068222-A Polypeptides for treatment of cancer IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-26 US claimed
US-5049551-A Antitumor UBE INDUSTRIES, LTD. (JP) 1991-09-17 US claimed
EP-0400610-A1 5-Fluorouracil derivatives UBE INDUSTRIES, LTD. (JP) 1990-12-05 EP claimed
EP-0315367-A2 Polypeptides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-10 EP claimed
US-3975532-A ANALGESIC ICI UNITED STATES INC. (US) 1976-08-17 US claimed
US-3953596-A 8-Oxa-3-azabicyclo(3.2.1)octane analgesic compositions and method of alleviating pain in animals ICI UNITED STATES INC. (US) 1976-04-27 US 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 (2 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-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS VIP, PEPD, NRDC TAAR1 4703/4885PNMT 1129/4885CYP3A4 4416/4885
US-20050038230-A1 Linear and cyclic melanocortin receptor-specific peptides MC1R, MC3R, MC5R TAAR1 139/4885PNMT 454/4885CYP3A4 4709/4885

“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.