SCHEMBL322305

SCHEMBL322305

Oc1ccc(CN2CCCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.74
HRH4 Q9H3N8 1/20 0.65
ALDH1A1 P00352 4/20 0.63
KDM4E B2RXH2 2/20 0.63
MBTD1 Q05BQ5 1/20 0.61
L3MBTL3 Q96JM7 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
NCF1 P14598 1/20 0.57
CXCR4 P61073 1/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
DRD4 P21917 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL1888525 0.98 HRH3 (0.78) HRH3HRH4ALDH1A1KDM4EMBTD1
Methane SCHEMBL8063684 0.96 HRH3 (0.75) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL5428090 0.91 DRD4 (0.63) HRH3HRH4ALDH1A1KDM4EPOLB
SCHEMBL11201497 0.88 HRH3 (0.94) HRH3HRH4ALDH1A1KDM4EMBTD1
Hydrochloric Acid SCHEMBL11196296 0.85 HRH3 (0.90) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL4277270 0.85 HRH3 (1.00) HRH3HRH4ALDH1A1KDM4EMBTD1
Hydrochloric Acid SCHEMBL7468055 0.83 HRH3 (0.95) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL9720752 0.83 DRD4 (0.77) POLBDRD4
SCHEMBL8804975 0.83 DRD4 (0.51) HRH3HRH4ALDH1A1KDM4ECXCR4
SCHEMBL2250410 0.82 HRH3 (0.74) HRH3HRH4ALDH1A1KDM4EMBTD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515955-A Crystalline forms of 4- [ (7-chloro-2-methoxybenzo [ b ] [1,5] naphthyridin-10-yl) amino ] -2, 6-bis (pyrrolidin-1-ylmethyl) phenol and salts thereof 默克专利股份公司 2022-12-23 CN claimed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US claimed
EP-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP claimed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US claimed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US claimed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US claimed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO claimed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US claimed
WO-2024135186-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED PRODUCT, ORGANIC EL DISPLAY DEVICE, DISPLAY DEVICE, AND PHENOL COMPOUND 東レ株式会社 2024-06-27 WO disclosed
CN-115515955-A Crystalline forms of 4- [ (7-chloro-2-methoxybenzo [ b ] [1,5] naphthyridin-10-yl) amino ] -2, 6-bis (pyrrolidin-1-ylmethyl) phenol and salts thereof 默克专利股份公司 2022-12-23 CN disclosed
CN-115515955-A Crystalline forms of 4- [ (7-chloro-2-methoxybenzo [ b ] [1,5] naphthyridin-10-yl) amino ] -2, 6-bis (pyrrolidin-1-ylmethyl) phenol and salts thereof 默克专利股份公司 2022-12-23 CN disclosed
CN-115515955-A Crystalline forms of 4- [ (7-chloro-2-methoxybenzo [ b ] [1,5] naphthyridin-10-yl) amino ] -2, 6-bis (pyrrolidin-1-ylmethyl) phenol and salts thereof 默克专利股份公司 2022-12-23 CN disclosed
US-20220204472-A1 HETEROAROMATIC ELECTROPHILES AND METHODS OF USING THEREOF OHIO STATE INNOVATION FOUNDATION 2022-06-30 US disclosed
CN-114569552-A Anti-malarial compositions and uses thereof 斯克利普斯研究院 2022-06-03 CN disclosed
US-6638967-B2 Pyrrole, furan, thiofuran and phenyl derivatives; inhibition of histamine H3 receptor activity; for example, 1-((4-(4-Pyrrolidin-1-ylmethyl-phenyl)-thien-2-yl)methyl)-pyrrolidine ORTHO-MCNEIL PHAMRACEUTICAL, INC. 2003-10-28 US disclosed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO disclosed
EP-1311499-A2 BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-21 EP disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US disclosed
US-20020037896-A1 Pyrrole, furan, thiofuran and phenyl derivatives; inhibition of histamine H3 receptor activity; for example, 1-((4-(4-Pyrrolidin-1-ylmethyl-phenyl)-thien-2-yl)methyl)-pyrrolidine ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-03-28 US disclosed
WO-2002012224-A2 BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 WO 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 (5 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-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX HRH3 3754/4885HRH4 2873/4885ALDH1A1 810/4885
US-20220204472-A1 HETEROAROMATIC ELECTROPHILES AND METHODS OF USING THEREOF ACHE, BCHE, CHAT HRH3 470/4885HRH4 801/4885ALDH1A1 1025/4885
US-20020037896-A1 Pyrrole, furan, thiofuran and phenyl derivatives; inhibition of histamine H3 receptor activity; for example, 1-((4-(4-Pyrrolidin-1-ylmethyl-phenyl)-thien-2-yl)methyl)-pyrrolidine HRH4, HRH3, HRH2 HRH3 2/4885HRH4 1/4885ALDH1A1 1225/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX HRH3 3754/4885HRH4 2873/4885ALDH1A1 810/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX HRH3 3754/4885HRH4 2873/4885ALDH1A1 810/4885

“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.