SCHEMBL1883482

SCHEMBL1883482

COc1cccc(CN2CCCCC2)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.77
ALDH1A1 P00352 3/20 0.72
KDM4E B2RXH2 2/20 0.72
HRH3 Q9Y5N1 1/20 0.69
CASP1 P29466 1/20 0.64
CASP4 P49662 1/20 0.64
CASP5 P51878 1/20 0.64
GAA P10253 1/20 0.63
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 1/20 0.58
TSHR P16473 1/20 0.58

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
SCHEMBL29447356 1.00 SIGMAR1 (0.77) SIGMAR1ALDH1A1KDM4EHRH3CASP1
Hydrochloric Acid SCHEMBL16825187 0.98 SIGMAR1 (0.74) SIGMAR1ALDH1A1KDM4EHRH3CASP1
SCHEMBL3162705 0.98 SIGMAR1 (0.79) SIGMAR1ALDH1A1KDM4EHRH3CASP1
SCHEMBL30774908 0.95 SIGMAR1 (0.79) SIGMAR1ALDH1A1KDM4EHRH3CASP1
SCHEMBL19206069 0.92 SIGMAR1 (0.70) SIGMAR1ALDH1A1KDM4EHRH3CASP1
SCHEMBL28186295 0.91 SIGMAR1 (0.90) SIGMAR1ALDH1A1KDM4ECASP1CASP4
SCHEMBL20804357 0.91 SIGMAR1 (0.90) SIGMAR1ALDH1A1KDM4ECASP1CASP4
Benzylamine SCHEMBL28105111 0.91 SIGMAR1 (0.74) SIGMAR1ALDH1A1KDM4EHRH3CASP1
SCHEMBL24495483 0.89 DRD4 (0.68) SIGMAR1ALDH1A1KDM4EHRH3CASP1
SCHEMBL19206085 0.88 SIGMAR1 (0.64) SIGMAR1ALDH1A1KDM4EHRH3CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0117345-B1 AMINOPYRIMIDINONES AS HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-02-28 EP claimed
EP-0117345-A2 Aminopyrimidinones as histamine H2-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-09-05 EP claimed
WO-2022109209-A1 SMALL MOLECULE COMPOUNDS AND COMPOSITIONS TELO THERAPEUTICS, INC. (US) 2022-05-27 WO disclosed
CN-107567445-A It can be used as 2 phenyl 3H imidazos [4,5 B] pyridine derivates of mammal EGFR-TK ROR1 activities inhibitor 坎塞拉有限公司 2018-01-09 CN disclosed
EP-3083584-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS Sunshine Lake Pharma Co., Ltd. (CN) 2016-10-26 EP disclosed
CN-105859654-A Method for synthesizing Roxatidine intermediate 3-(1-piperidinyl methyl) phenol 安徽禾益化学股份有限公司 2016-08-17 CN disclosed
WO-2015090232-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-06-25 WO disclosed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130324556-A1 Protease Activated Receptor 2 (PAR2) Antagonists PROXIMAGEN LTD. (GB) 2013-12-05 US disclosed
EP-2668157-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS Proximagen Limited (GB) 2013-12-04 EP disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-4540699-A N-Substituted pyridinones having histamine H2 -antagonist activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-09-10 US disclosed
EP-0132914-A2 Imidazolinone derivatives as histamine H2-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-02-13 EP disclosed
WO-1984004304-A1 AMINOIMIDAZOLONE DERIVATIVES AS HISTAMINE H2-ANTAGONISTS SMITH KLINE FRENCH LAB (GB) 1984-11-08 WO disclosed
EP-0117345-A2 Aminopyrimidinones as histamine H2-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-09-05 EP disclosed
US-4220357-A PRESSURE SENSITIVE OR HEAT SENSITIVE SYSTEMS STERLING DRUG INC. (US) 1980-09-02 US disclosed
US-4209618-A COLOR PRECURSORS IN PRESSURE-SENSITIVE DUPLICATING SYSTEMS AND HEAT-SENSITIVE MARKING SYSTEMS STERLING DRUG INC. (US) 1980-06-24 US disclosed
US-4096176-A Benzoylbenzoic acids STERLING DRUG INC. (US) 1978-06-20 US disclosed
US-4094877-A SUBSTITUTED 3,3-DIPHENYLPHTHALIDES AS COLOR PRECURSORS STERLING DRUG INC. (US) 1978-06-13 US disclosed
US-4032527-A COLOR PRECURSORS STERLING DRUG INC. (US) 1977-06-28 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-20130324556-A1 Protease Activated Receptor 2 (PAR2) Antagonists F2RL1, F2R, F2RL3 SIGMAR1 675/4885ALDH1A1 4306/4885KDM4E 4322/4885
US-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 SIGMAR1 1170/4885ALDH1A1 3113/4885KDM4E 1973/4885

“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.