SCHEMBL1890670

SCHEMBL1890670

Clc1cccc(CN2CCCCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.77
ALDH1A1 P00352 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
TDP1 Q9NUW8 1/20 0.64
KDM4E B2RXH2 3/20 0.63
HRH3 Q9Y5N1 1/20 0.61
PRMT6 Q96LA8 1/20 0.61
POLB P06746 1/20 0.61
GAA P10253 2/20 0.60
GLA P06280 1/20 0.60
MAPT P10636 1/20 0.60
HTT P42858 1/20 0.60
ATM Q13315 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CYP2D6 P10635 2/20 0.59
CYP2C19 P33261 1/20 0.59
CNR1 P21554 1/20 0.58
CNR2 P34972 1/20 0.58
CYP2C9 P11712 1/20 0.57
HIF1A Q16665 1/20 0.57

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
SCHEMBL5732659 1.00 SIGMAR1 (0.77) SIGMAR1ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL29447362 1.00 SIGMAR1 (0.77) SIGMAR1ALDH1A1SMN1; SMN2TDP1KDM4E
Hydrochloric Acid SCHEMBL16825190 0.98 SIGMAR1 (0.74) SIGMAR1ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL29447340 0.98 SIGMAR1 (0.79) SIGMAR1ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL3169406 0.98 SIGMAR1 (0.79) SIGMAR1ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL29668629 0.94 SIGMAR1 (0.79) SIGMAR1ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL20238106 0.94 SIGMAR1 (0.79) SIGMAR1ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL26125697 0.88 SIGMAR1 (0.65) SIGMAR1ALDH1A1SMN1; SMN2TDP1KDM4E
Ammonia Solution, Strong SCHEMBL2926473 0.86 LTA4H (0.64) SIGMAR1ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL11339852 0.86 PRMT6 (0.78) ALDH1A1SMN1; SMN2TDP1KDM4EHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105829293-B New piperidine carbamyl class compound, preparation method and its usage 中国人民解放军军事医学科学院毒物药物研究所 2018-11-09 CN claimed
CN-105829293-A Novel piperidine carboxamide compound, preparation method, and usage thereof 中国人民解放军军事医学科学院毒物药物研究所 2016-08-03 CN claimed
EP-3083584-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS Sunshine Lake Pharma Co., Ltd. (CN) 2016-10-26 EP disclosed
CN-105829293-A Novel piperidine carboxamide compound, preparation method, and usage thereof 中国人民解放军军事医学科学院毒物药物研究所 2016-08-03 CN disclosed
WO-2015090232-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-06-25 WO disclosed
WO-2011163518-A1 PYRAZOLO [1, 5 -A] PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2011-12-29 WO disclosed
US-7939672-B2 Phenylacetate derivatives or pharmaceutically acceptable salts thereof, preparation method thereof and composition for prevention or treatment of diseases induced by activation of T-type calcium ion channel containing the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-05-10 US disclosed
US-20100056545-A1 NOVEL PHENYLACETATE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES INDUCED BY ACTIVATION OF T-TYPE CALCIUM ION CHANNEL CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-03-04 US disclosed
WO-2009158587-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2009-12-30 WO 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-20100056545-A1 NOVEL PHENYLACETATE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES INDUCED BY ACTIVATION OF T-TYPE CALCIUM ION CHANNEL CONTAINING THE SAME AS AN ACTIVE INGREDIENT CACNA1A, CACNA1G, CACNA1H SIGMAR1 559/4885ALDH1A1 936/4885SMN1; SMN2 1692/4885

“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.