SCHEMBL5847586

SCHEMBL5847586

CC(CN)c1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.50
HTR2A P28223 3/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
HTT P42858 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
CYP2C9 P11712 1/20 0.36
NISCH Q9Y2I1 1/20 0.36

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
SCHEMBL3708329 0.80 TSHR (0.59) HTTMAOAMAOBIDO1TDO2
SCHEMBL29573338 0.80 TSHR (0.59) HTTMAOAMAOBIDO1TDO2
SCHEMBL10456467 0.80 HTT (0.43) TAAR1HTTMAOAMAOBIDO1
SCHEMBL10738640 0.79 TAAR1 (0.53) TAAR1HTR2AHTR2CHTR2BHTT
SCHEMBL6680371 0.78 HTT (0.50) TAAR1HTTMAOAMAOBIDO1
SCHEMBL2401582 0.78 HTT (0.46) HTR2CHTR2BHTTMAOAMAOB
SCHEMBL708904 0.78 HTT (0.42) HTTMAOAMAOBIDO1TDO2
SCHEMBL31627096 0.77 SLC7A5 (0.38) TAAR1HTR2AHTTMAOAMAOB
SCHEMBL11111739 0.77 IDO1 (0.42) TAAR1HTR2AHTR2CHTR2BHTT
SCHEMBL1471049 0.77 IDO1 (0.42) TAAR1HTR2AHTR2CHTR2BHTT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107690281-A Cystic fibrosis transmembrane transduction modulator modulators 弗特克斯药品有限公司 2018-02-13 CN disclosed
US-7078567-B2 Amination process JOHNSTON JEFFREY N 2006-07-18 US disclosed
US-20040082778-A1 Amination process JOHNSTON JEFFREY N (US) 2004-04-29 US disclosed
US-6670479-B2 An sp2 hybridized radical is reacted with an azomethine group to form pyrrolidine and indole compounds ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. 2003-12-30 US disclosed
WO-2002072547-A1 AMINATION PROCESS ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. (US) 2002-09-19 WO disclosed
WO-2002070439-A2 AMINATION PROCESS JOHNSTON, JEFFREY, N. 2002-09-12 WO disclosed
US-20020128490-A1 Amination process ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. 2002-09-12 US disclosed
EP-0163948-B1 PROCESS FOR PRODUCING AN INDOLINE IHARA CHEMICAL IND CO 1989-08-16 EP disclosed
US-4673749-A CYCLIZATION OF 2-HOLOGENO PHENETHYLAMINES WITH COPPER CATALYS T AND ALKALI DEHYROHALOGENATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1987-06-16 US disclosed
EP-0163948-A1 Process for producing an indoline IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1985-12-11 EP disclosed
US-4280958-A COPPER-TYPE CATALYST USED IN CYCLIZATION OF A HALOGENOPHENETHYLAMINE IN THE PRESENCE OF AN AMINE IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1981-07-28 US disclosed
US-4159271-A CYCLIZATION OF A 2-HALOGENOPHENETHYLAMINE IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1979-06-26 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 (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-20040082778-A1 Amination process IDO2, INMT, IDO1 TAAR1 984/4885HTR2A 158/4885HTR2C 186/4885
US-20020128490-A1 Amination process IDO2, INMT, IDO1 TAAR1 760/4885HTR2A 173/4885HTR2C 185/4885

“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.