SCHEMBL5338979

SCHEMBL5338979

CN1CCC(c2cccc(N)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.48
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR1F P30939 1/20 0.48
NOS3 P29474 4/20 0.44
NOS2 P35228 3/20 0.44
NOS1 P29475 3/20 0.44
HRH4 Q9H3N8 1/20 0.40
PARP1 P09874 1/20 0.40
MAP4K4 O95819 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP7 Q93009 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37

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
SCHEMBL29645408 1.00 HTR1A (0.48) HTR1ADRD2DRD4HTR1DHTR1B
Hydrochloric Acid SCHEMBL31655491 0.98 HTR1A (0.47) HTR1ADRD2DRD4HTR1DHTR1B
SCHEMBL29900984 0.83 ASIC3 (0.43) HTR1ADRD2DRD4NOS3NOS2
SCHEMBL3925163 0.83 ASIC3 (0.43) HTR1ADRD2DRD4NOS3NOS2
SCHEMBL23089594 0.81 DRD2 (0.45) HTR1ADRD2DRD4NOS3NOS2
SCHEMBL29814708 0.81 DRD2 (0.45) HTR1ADRD2DRD4NOS3NOS2
SCHEMBL17888476 0.81 DRD2 (0.53) HTR1ADRD2DRD4MAP4K4HTR3E
SCHEMBL15091015 0.80 HTR1A (0.41) HTR1ADRD2DRD4NOS3NOS2
SCHEMBL25121130 0.79 USP7 (0.41) HTR1ADRD2DRD4HTR1DHTR1B
SCHEMBL23865578 0.79 HTR1A (0.48) HTR1ADRD2DRD4PARP1USP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118164952-A Preparation method of masmipide 山东新时代药业有限公司 2024-06-11 CN disclosed
CN-118164952-A Preparation method of masmipide 山东新时代药业有限公司 2024-06-11 CN disclosed
CN-116925037-A Preparation method of 2-amino-6- (1-methylpiperidine-4-ylcarbonyl) pyridine 山东新时代药业有限公司 2023-10-24 CN disclosed
CN-115594665-A Novel preparation method of rasemiptan 北京万全德众医药生物技术有限公司(CN) 2023-01-13 CN disclosed
CN-115477635-A Preparation method of rasemiptan 山东新时代药业有限公司 2022-12-16 CN disclosed
CN-114685439-A Preparation method of rasemiptan 鲁南制药集团股份有限公司 2022-07-01 CN disclosed
US-10669256-B2 Crystalline forms of lasmiditan, preparation methods, pharmaceutical compositions and uses thereof HANGZHOU SOLIPHARMA CO., LTD. (CN) 2020-06-02 US disclosed
US-20190233393-A1 CRYSTALLINE FORM OF RECEPTOR AGONIST, AND MANUFACTURING METHOD AND PHARMACEUTICAL COMPOSITION THEREOF SOLIPHARMA LLC (CN) 2019-08-01 US disclosed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US disclosed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US disclosed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 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 (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-20190233393-A1 CRYSTALLINE FORM OF RECEPTOR AGONIST, AND MANUFACTURING METHOD AND PHARMACEUTICAL COMPOSITION THEREOF HTR1F, HTR1D, HTR1A HTR1A 3/4885DRD2 361/4885DRD4 840/4885
US-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX HTR1A 4710/4885DRD2 4789/4885DRD4 4383/4885
US-10669256-B2 Crystalline forms of lasmiditan, preparation methods, pharmaceutical compositions and uses thereof HTR1F, HTR1D, HTR1A HTR1A 3/4885DRD2 468/4885DRD4 1082/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX HTR1A 4710/4885DRD2 4789/4885DRD4 4383/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX HTR1A 4710/4885DRD2 4789/4885DRD4 4383/4885

“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.