SCHEMBL1241906

SCHEMBL1241906

Brc1ccc(CN2CCCCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.78
HRH4 Q9H3N8 1/20 0.69
ALDH1A1 P00352 5/20 0.67
KDM4E B2RXH2 3/20 0.67
TNIK Q9UKE5 1/20 0.65
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
MBTD1 Q05BQ5 1/20 0.59
L3MBTL3 Q96JM7 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
POLB P06746 1/20 0.58

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
SCHEMBL6813696 0.98 HRH3 (0.75) HRH3HRH4ALDH1A1KDM4ETNIK
SCHEMBL3409221 0.98 HRH3 (0.75) HRH3HRH4ALDH1A1KDM4ETNIK
SCHEMBL1239274 0.98 HRH3 (0.74) HRH3HRH4ALDH1A1KDM4ETNIK
Hydrochloric Acid SCHEMBL28582354 0.96 HRH3 (0.71) HRH3HRH4ALDH1A1KDM4ETNIK
SCHEMBL1241202 0.93 ALDH1A1 (0.68) HRH3HRH4ALDH1A1KDM4ETNIK
SCHEMBL1244075 0.89 ALDH1A1 (0.73) HRH3ALDH1A1KDM4ETNIKCYP2D6
SCHEMBL4277270 0.89 HRH3 (1.00) HRH3HRH4ALDH1A1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL7468055 0.86 HRH3 (0.95) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL11201497 0.86 HRH3 (0.94) HRH3HRH4ALDH1A1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL11196296 0.84 HRH3 (0.90) HRH3HRH4ALDH1A1KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112645902-B Synthesis method of 1- (4-bromophenyl) piperidine 蚌埠中实化学技术有限公司 2023-04-21 CN disclosed
EP-3452464-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF HOFFMANN LA ROCHE (CH) 2021-12-15 EP disclosed
US-9296732-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-03-29 US disclosed
US-9296732-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-03-29 US disclosed
US-9296732-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-03-29 US disclosed
US-20150329503-A1 SUBSTITUTED BENZAMIDES AND THEIR USES UNIV LELAND STANFORD JUNIOR (US) 2015-11-19 US disclosed
US-20150329503-A1 SUBSTITUTED BENZAMIDES AND THEIR USES UNIV LELAND STANFORD JUNIOR (US) 2015-11-19 US disclosed
US-20150329503-A1 SUBSTITUTED BENZAMIDES AND THEIR USES UNIV LELAND STANFORD JUNIOR (US) 2015-11-19 US disclosed
CN-103772320-B A kind of take a-amino acid as the method for Material synthesis tertiary amine ZHEJIANG HISOAR PHARMACEUTICAL CO., LTD. (CN) 2015-09-16 CN disclosed
US-9085570-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-07-21 US disclosed
CN-1541214-A Novel compounds 2004-10-27 CN disclosed
EP-1451167-A1 PHENYLALKYNES Ortho-McNeil Pharmaceutical, Inc. (US) 2004-09-01 EP disclosed
WO-2004050623-A1 METHODS FOR PREPARING PHENYLALKYNE DERIVATIVES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2004-06-17 WO disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
CN-1496981-A Cyclic amine derivatives and their use as pharmaceuticals ������������ʽ���� 2004-05-19 CN disclosed
US-20040002604-A1 Phenylalkynes ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-01-01 US disclosed
US-20030144323-A1 For treatment of disorders and conditions mediated by the histamine receptor; allergies, sleep disorders, dementia ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-31 US disclosed
WO-2003050099-A1 PHENYLALKYNES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 WO disclosed
CN-1279668-A Cyclic amine derivatives and their use as pharmaceuticals TEIJIN LTD (JP) 2001-01-10 CN 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 (3 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-20150329503-A1 SUBSTITUTED BENZAMIDES AND THEIR USES NISCH, BTD, NAAA HRH3 780/4885HRH4 1044/4885ALDH1A1 483/4885
US-20030144323-A1 For treatment of disorders and conditions mediated by the histamine receptor; allergies, sleep disorders, dementia HRH3, HRH2, HRH4 HRH3 1/4885HRH4 3/4885ALDH1A1 1479/4885
US-20040002604-A1 Phenylalkynes HRH2, HRH3, HNMT HRH3 2/4885HRH4 4/4885ALDH1A1 207/4885

“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.