SCHEMBL3972958

SCHEMBL3972958

CN(C)Cc1ccc(CN)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.64
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
TAAR1 Q96RJ0 3/20 0.54
NOS3 P29474 2/20 0.50
NOS1 P29475 2/20 0.50
NOS2 P35228 2/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
LOXL2 Q9Y4K0 3/20 0.48
ABAT P80404 1/20 0.46
TPSAB1 Q15661 2/20 0.42
POLB P06746 1/20 0.42
PSIP1 O75475 1/20 0.41

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 SCHEMBL30839558 0.97 HRH3 (0.61) HRH3ALDH1A1TSHRTAAR1NOS3
Hydrochloric Acid SCHEMBL6433564 0.97 HRH3 (0.61) HRH3ALDH1A1TSHRTAAR1NOS3
Benzylamine SCHEMBL28220474 0.86 ALDH1A1 (0.74) HRH3ALDH1A1TSHRTAAR1NOS1
Benzylamine SCHEMBL28220473 0.86 ALDH1A1 (0.74) HRH3ALDH1A1TSHRTAAR1NOS1
SCHEMBL659509 0.86 HRH3 (0.82) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL2464280 0.81 ALDH1A1 (0.54) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL4277824 0.80 HRH3 (0.58) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL57323 0.79 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL1873058 0.79 ALDH1A1 (0.44) HRH3ALDH1A1TSHRTAAR1NOS3
Hydrochloric Acid SCHEMBL3625400 0.78 HRH3 (0.56) HRH3ALDH1A1TSHRTAAR1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119144233-A Non-cured rubber asphalt waterproof coating and preparation method thereof 北京东方雨虹防水技术股份有限公司 2024-12-17 CN claimed
CN-114573815-B Quick-crosslinking-curing MQ type silicon resin and preparation method and application thereof 杭州师范大学 2023-07-25 CN claimed
CN-115400269-B Injectable bone cement and preparation method and application thereof 武汉理工大学 2023-07-04 CN claimed
CN-114409903-B Alpha-cyanoacrylate oxyethyl oxypropyl end-capped cross MDQ silicon resin, and preparation and application thereof 杭州师范大学 2023-06-23 CN claimed
US-12606520-B2 Calpain-2 inhibitor compounds and methods of treatment WESTERN UNIVERSITY OF HEALTH SCIENCES (US) 2026-04-21 US disclosed
CN-119144233-A Non-cured rubber asphalt waterproof coating and preparation method thereof 北京东方雨虹防水技术股份有限公司 2024-12-17 CN disclosed
CN-118461325-A Carbon fiber sizing agent, preparation method thereof and composite material 北京化工大学 2024-08-09 CN disclosed
EP-4392415-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS Yuhan Corporation (KR) 2024-07-03 EP disclosed
EP-4370578-A1 ACCELERATOR FOR EPOXY RESINS Sika Technology AG (CH) 2024-05-22 EP disclosed
US-11981658-B2 Substituted aminopyridine compounds as EGFR inhibitors YUHAN CORPORATION (KR) 2024-05-14 US disclosed
CN-117980297-A Substituted aminopyridine compounds as EGFR inhibitors 柳韩洋行 2024-05-03 CN disclosed
EP-3568390-B1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2024-03-06 EP disclosed
EP-0252992-A1 Rubber-like polymers for tire treads, a process for their preparation, and compositions containing said polymers Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1988-01-20 EP disclosed
US-4695405-A Process for quenching fluorescence, and new cationic or amphoteric aromatic nitro compounds BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed
EP-0217256-A2 Method for quenching fluorescence, and cationic derivatives of naphthalene-peri-dicarboxamide BAYER AG (DE) 1987-04-08 EP disclosed
US-4624943-A Aromatic basic-tailed vasopressin antagonists SMITHKLINE BECKMAN CORPORATION (US) 1986-11-25 US disclosed
EP-0195673-A2 Aromatic basic-tailed vasopressin antagonists SMITHKLINE BECKMAN CORPORATION (US) 1986-09-24 EP disclosed
EP-0186817-A1 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-07-09 EP disclosed
EP-0163854-A2 Process for the elimination of fluorescence and cationic or amphoteric aromatic nitro compounds BAYER AG (DE) 1985-12-11 EP disclosed
US-4208408-A MUSCLE RELAXANTS SANDOZ, INC. (US) 1980-06-17 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 (2 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-12606520-B2 Calpain-2 inhibitor compounds and methods of treatment CAPN2, CAPN1, CAPNS1 HRH3 2482/4885ALDH1A1 3630/4885TSHR 4532/4885
US-11981658-B2 Substituted aminopyridine compounds as EGFR inhibitors EGFR, ERBB2, ERBB4 HRH3 1862/4885ALDH1A1 2639/4885TSHR 2939/4885

“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.