SCHEMBL2224935

SCHEMBL2224935

c1cc(N2CCNCC2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 10/20 0.52
HTR3E A5X5Y0 5/20 0.52
HTR3B O95264 5/20 0.52
HTR3A P46098 5/20 0.52
HTR3D Q70Z44 5/20 0.52
HTR3C Q8WXA8 5/20 0.52
SIGMAR1 Q99720 5/20 0.52
ADRB2 P07550 1/20 0.48
NCF1 P14598 1/20 0.48
PLD1 Q13393 1/20 0.48
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2C P28335 2/20 0.43
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
Hydrochloric Acid SCHEMBL4574565 0.98 ADRB1 (0.50) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3038730 0.80 CHKA (0.43) TP53CYP1A2THRBCYP2C19HTT
SCHEMBL13118688 0.80 ADRB1 (0.50) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1068578 0.78 ALDH1A1 (0.43) TP53THRBHTTKDM4EALDH1A1
SCHEMBL1267527 0.77 HRH4 (0.35) CHRM2CHRM4CHRM1CHRM3HTR1A
SCHEMBL27743819 0.75 LMNA (0.52) TP53CYP1A2HTTKDM4EALDH1A1
SCHEMBL3442708 0.75 HTR7 (0.67) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5570604 0.74 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL4575189 0.73 MAPT (0.43) HTR2CALDH1A1LMNA
SCHEMBL6354195 0.72 CYP2A6 (0.56) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118580229-B Preparation method of bripiprazole 湖南一格制药有限公司 2024-12-27 CN disclosed
CN-113979915-B Dopamine D 2 Receptor dual ligand compounds and uses 常州大学 2023-07-25 CN disclosed
EP-4143163-A1 ANTAGONISTS OF GPR39 PROTEIN Oregon Health & Science University (US) 2023-03-08 EP disclosed
CN-113979915-A Dopamine D2Receptor dibit ligand type compound and application 常州大学 2022-01-28 CN disclosed
WO-2020042903-A1 SALT OF CYCLOHEXANE DERIVATIVE 浙江京新药业股份有限公司 2020-03-05 WO disclosed
CN-104011054-B As the thieno of potassium channel inhibitors and Furanopyrimidines class and pyridines 森申有限公司 2016-08-24 CN disclosed
US-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 US disclosed
EP-2515656-B1 AMINOBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-08-06 EP disclosed
EP-2515656-B1 AMINOBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-08-06 EP disclosed
US-5380840-A Treating spinal trauma, head injury, subarachnoid hemorrhage; reduced side effects THE UPJOHN COMPANY (US) 1995-01-10 US disclosed
US-5322943-A As substituents on steroids are useful as pharmaceutical agents for treating a number of conditions THE UPJOHN COMPANY (US) 1994-06-21 US disclosed
EP-0587048-A2 Heteroarenylpiperazines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-03-16 EP disclosed
US-5272148-A Heteroarenylpiperazines HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-12-21 US disclosed
US-5268477-A Containing a pyrrolidine or pyridine ring structure THE UPJOHN COMPANY (US) 1993-12-07 US disclosed
US-5210193-A Bactericide AMERICAN CYANAMID COMPANY (US) 1993-05-11 US disclosed
US-5175281-A Antiulcer, antiinflammatory, antiischemic, antiallergen, antisecretory, wound healing agents; cardiovascular disorders THE UPJOHN COMPANY (US) 1992-12-29 US disclosed
US-5099019-A Central nervous system steroid derivative drugs UPJOHN COMPANY (US) 1992-03-24 US disclosed
US-4940710-A 7-(substituted)piperazinyl-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1990-07-10 US disclosed
EP-0230053-A2 7-(Substituted)piperazinyl-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1987-07-29 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 (1 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-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 ADRB1 1401/4885HTR3E 2503/4885HTR3B 2321/4885

“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.