SCHEMBL840568

SCHEMBL840568

Brc1cc(CN2CCCCC2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
TDP1 Q9NUW8 1/20 0.56
HRH3 Q9Y5N1 3/20 0.52
CXCR4 P61073 1/20 0.49
ALDH1A1 P00352 4/20 0.49
HTT P42858 2/20 0.49
POLB P06746 1/20 0.49
HRH4 Q9H3N8 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PRMT6 Q96LA8 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45

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
SCHEMBL30508470 1.00 SMN1; SMN2 (0.56) SMN1; SMN2TDP1HRH3CXCR4ALDH1A1
SCHEMBL15260364 0.98 SMN1; SMN2 (0.53) SMN1; SMN2TDP1HRH3CXCR4ALDH1A1
SCHEMBL2933524 0.83 MC4R (0.50) TDP1ALDH1A1KDM4EPRMT6NPC1
SCHEMBL5255187 0.83 HTT (0.51) SMN1; SMN2HRH3CXCR4ALDH1A1HTT
SCHEMBL5253497 0.83 ALDH1A1 (0.49) SMN1; SMN2TDP1CXCR4ALDH1A1KDM4E
SCHEMBL30786089 0.81 HRH3 (0.59) TDP1HRH3CYP1A2L3MBTL1
SCHEMBL15260143 0.79 CNR2 (0.44) SMN1; SMN2TDP1CXCR4ALDH1A1CYP1A2
SCHEMBL31270902 0.79 PIM1 (0.41) CXCR4ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL7606866 0.79 SMN1; SMN2 (0.57) SMN1; SMN2TDP1HRH3CXCR4ALDH1A1
SCHEMBL2236348 0.79 HRH3 (0.52) SMN1; SMN2TDP1HRH3CXCR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478144-A Preparation method of high-purity lafutidine 内蒙古京科医药科技有限公司 2023-07-25 CN claimed
CN-102964295-A Preparation method of 2-substituted-4-(piperidylmethyl)pyridine Shouguang fukang pharmaceutical co ltd 2013-03-13 CN disclosed
US-8143246-B2 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives MSD OSS B.V. (NL) 2012-03-27 US disclosed
CN-102304082-A Synthesis method of 2-chloro-4-(piperidylmethyl)pyridine UNIV CHANGZHOU 2012-01-04 CN disclosed
EP-2373639-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. Organon (NL) 2011-10-12 EP disclosed
US-7846930-B2 Diaryl-substituted tetrahydroisoquinolines as histamine H3 receptor and serotonin transporter modulators JANSSEN PHARMACEUTICA NV (BE) 2010-12-07 US disclosed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 US disclosed
WO-2010063666-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. ORGANON (NL) 2010-06-10 WO disclosed
US-20080318952-A1 DIARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-25 US disclosed
WO-2008144305-A1 DIARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-27 WO disclosed
EP-0282077-B1 Pyridyloxy derivatives FUJIREBIO KK (JP) 1993-11-10 EP disclosed
EP-0177016-B1 PYRIDYLOXY DERIVATIVES Ikeda Mohando Co., Ltd. (JP) 1993-06-23 EP disclosed
US-4977267-A ANTISECRETORY AGENT FUJIREBIO KABUSHIKI KAISHA (JP) 1990-12-11 US disclosed
US-4912101-A Containing a secondary amide, suflur group and a furan ring FUJIREBIO KABUSHIKI KAISHA (JP) 1990-03-27 US disclosed
US-4808589-A Pyrimidone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-28 US disclosed
EP-0282077-A2 Pyridyloxy derivatives FUJIREBIO KABUSHIKI KAISHA (JP) 1988-09-14 EP disclosed
US-4710498-A ANTIULCER AGENTS IKEDA MOHANDO CO., LTD. (JP) 1987-12-01 US disclosed
EP-0177016-A2 Pyridyloxy derivatives Ikeda Mohando Co., Ltd. (JP) 1986-04-09 EP disclosed
EP-0087274-A2 Pyrimidone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-08-31 EP 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-20080318952-A1 DIARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS HRH3, HRH4, HRH1 SMN1; SMN2 4305/4885TDP1 2904/4885HRH3 1/4885
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES OPRD1, CNR1, CNR2 SMN1; SMN2 87/4885TDP1 3340/4885HRH3 18/4885

“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.