SCHEMBL394855

SCHEMBL394855

CCCCc1ccc(CN)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.61
CA2 P00918 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CA1 P00915 1/20 0.54
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 1/20 0.52
ESR1 P03372 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
SHBG P04278 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSPD1 P10809 1/20 0.50

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 SCHEMBL920409 0.98 HTR2A (0.59) HTR2ACA2SMN1; SMN2CA1ALDH1A1
SCHEMBL395434 0.93 HTR2A (0.72) HTR2ACA2ALDH1A1HSD17B10ESR1
SCHEMBL920406 0.91 HTR2A (0.76) HTR2ACA2ALDH1A1HSD17B10ESR1
SCHEMBL29285307 0.91 HTR2A (0.76) HTR2ACA2ALDH1A1HSD17B10ESR1
SCHEMBL29038707 0.91 HTR2A (0.76) HTR2ACA2ALDH1A1HSD17B10ESR1
SCHEMBL393623 0.91 HTR2A (0.76) HTR2ACA2ALDH1A1HSD17B10ESR1
SCHEMBL395308 0.91 HTR2A (0.76) HTR2ACA2ALDH1A1HSD17B10ESR1
SCHEMBL394553 0.91 HTR2A (0.76) HTR2ACA2ALDH1A1HSD17B10ESR1
Hydrochloric Acid SCHEMBL1856278 0.91 HTR2A (0.69) HTR2ACA2ALDH1A1HSD17B10ESR1
SCHEMBL2674306 0.91 HTR2A (0.76) HTR2ACA2ALDH1A1HSD17B10ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111423837-A TPU hot melt adhesive and preparation method thereof 上海抚佳精细化工有限公司 2020-07-17 CN claimed
CN-106480735-B Circuit substrate and preparation method thereof 广东生益科技股份有限公司 2019-06-14 CN claimed
US-20170305859-A1 An Anticonvulsant Compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2017-10-26 US claimed
EP-3191088-A1 AN ANTICONVULSANT COMPOUND Royal Holloway And Bedford New College (GB) 2017-07-19 EP claimed
CN-103980706-B Thermosetting resin composition and applications thereof 广东生益科技股份有限公司 2017-01-11 CN claimed
WO-2016038379-A1 AN ANTICONVULSANT COMPOUND ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2016-03-17 WO claimed
US-20070066682-A1 Arylalkylamine vanadium (V) salts for the treatment and/or prevention of Diabetes mellitus GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US claimed
WO-2025052776-A1 METHOD FOR MANUFACTURING SURFACE-TREATED SUBSTRATE, METHOD FOR SELECTIVELY MODIFYING SUBSTRATE SURFACE, AND COMPOSITION FOR SEMICONDUCTOR TREATMENT JSR株式会社 2025-03-13 WO disclosed
CN-112280251-B High-performance amine curing system epoxy asphalt material and preparation method thereof 南京阿斯孚特新材料科技有限公司 2023-10-24 CN disclosed
US-20220112242-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME CDRD VENTURES INC. (CA) 2022-04-14 US disclosed
CN-111423837-B TPU hot melt adhesive and preparation method thereof 上海抚佳精细化工有限公司 2022-04-05 CN disclosed
EP-3177611-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2021-10-06 EP disclosed
CN-112280251-A High-performance amine curing system epoxy asphalt material and preparation method thereof 南京阿斯孚特新材料科技有限公司 2021-01-29 CN disclosed
US-5003106-A Antiatherosclerotic ureas and thioureas AMERICAN CYANAMID COMPANY (US) 1991-03-26 US disclosed
EP-0381141-A2 Novel aryl- or heteroaryl-1-alkyl-pyrrole-2-carboxylic acid compounds useful in treating interleukin-1 mediated conditions MERRELL PHARMACEUTICALS INC. (US) 1990-08-08 EP disclosed
EP-0381142-A2 Method of using aryl-or heteroaryl-1-alkyl-pyrrole-2-carboxylic acid compounds in the treatment of interleukin-1 mediated conditions MERRELL DOW PHARMACEUTICALS INC. (US) 1990-08-08 EP disclosed
US-4861777-A Pyrazole derivative and insecticidal and miticidal composition containing the derivative as active ingredient MITSUBISHI KASEI CORPORATION (JP) 1989-08-29 US disclosed
EP-0307801-A1 Pyrazole derivative and insecticidal and miticidal composition containing the derivative as active ingredient MITSUBISHI KASEI CORPORATION (JP) 1989-03-22 EP disclosed
US-4623662-A ANTICHOLESTEROL, ANTILIPEMIC AMERICAN CYANAMID COMPANY (US) 1986-11-18 US disclosed
US-4094982-A PYRIDINE SULFONAMIDES AND THEIR USE AS ANTICOCCIDIAL AGENTS SANKYO COMPANY LIMITED (JA) 1978-06-13 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 (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-20070066682-A1 Arylalkylamine vanadium (V) salts for the treatment and/or prevention of Diabetes mellitus GPR119, ABCC1, INSR HTR2A 729/4885CA2 1235/4885SMN1; SMN2 3891/4885
US-20170305859-A1 An Anticonvulsant Compound PSEN2, BACE2, APP HTR2A 551/4885CA2 336/4885SMN1; SMN2 1964/4885
US-20220112242-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME GPR119, SSTR5, SSTR2 HTR2A 410/4885CA2 326/4885SMN1; SMN2 1277/4885

“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.