SCHEMBL16675891

SCHEMBL16675891

CC(C)c1n[nH]c2c(Cl)cccc12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.58
FLT3 P36888 1/20 0.58
PLK3 Q9H4B4 1/20 0.58
ADRA2A P08913 1/20 0.40
NOS1 P29475 2/20 0.38
DAO P14920 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
RARG P13631 1/20 0.35
DYRK1A Q13627 3/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
NR4A2 P43354 2/20 0.33
AR P10275 1/20 0.33
PARP1 P09874 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL20952920 0.82 CHEK1 (0.54) CHEK1FLT3PLK3ADRA2ANOS1
SCHEMBL12913562 0.80 GABRA1 (0.38) CHEK1FLT3PLK3ADRA2ADAO
SCHEMBL14158327 0.79 GPR84 (0.36) CHEK1FLT3PLK3KDM4EPOLB
SCHEMBL13122682 0.76 CHEK1 (0.63) CHEK1FLT3PLK3ADRA2ANOS1
SCHEMBL4548302 0.74 KIF11 (0.41) ADRA2ACYP1A2CYP2A6KDM4EPOLB
SCHEMBL3004142 0.73 CHEK1 (1.00) CHEK1FLT3PLK3ADRA2ANOS1
SCHEMBL15866141 0.73 CHEK1 (0.66) CHEK1FLT3PLK3ADRA2ANOS1
SCHEMBL30040295 0.73 CHEK1 (0.66) CHEK1FLT3PLK3ADRA2ANOS1
SCHEMBL20674191 0.72 CHEK1 (0.63) CHEK1FLT3PLK3ADRA2ANOS1
SCHEMBL29361454 0.72 CHEK1 (0.63) CHEK1FLT3PLK3ADRA2ANOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210363155-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-11-25 US disclosed
US-10913746-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-02-09 US disclosed
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-08-09 US disclosed
US-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 US disclosed
US-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 US disclosed
US-9637450-B2 Octahydrocyclopentapyrroles, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-02 US disclosed
US-9637450-B2 Octahydrocyclopentapyrroles, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-02 US disclosed
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9434727-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-09-06 US disclosed
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-01-28 US disclosed
US-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-11-05 US disclosed
US-20150152063-A1 INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-06-04 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 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 (7 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-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 CHEK1 3425/4885FLT3 787/4885PLK3 1135/4885
US-20210363155-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HTR3C, HRH4, CYP4F3 CHEK1 2747/4885FLT3 521/4885PLK3 221/4885
US-20150152063-A1 INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D CHEK1 2730/4885FLT3 2038/4885PLK3 2140/4885
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 CHEK1 2677/4885FLT3 2880/4885PLK3 2023/4885
US-10913746-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 CHEK1 3425/4885FLT3 787/4885PLK3 1135/4885
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S CHEK1 2768/4885FLT3 4728/4885PLK3 2855/4885
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C CHEK1 4252/4885FLT3 4026/4885PLK3 4190/4885

“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.