SCHEMBL11914744

SCHEMBL11914744

CC(C)c1nnc2ccc(C(F)(F)F)cn12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SCN5A Q14524 2/20 0.46
MAPK14 Q16539 16/20 0.46

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
SCHEMBL19292586 0.84 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EHSD17B10SCN5A
SCHEMBL19658993 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EHSD17B10SCN5A
SCHEMBL27108463 0.79 MAPK14 (0.47) MAPK14
SCHEMBL11918906 0.77 KDM4E (0.56) ALDH1A1SMN1; SMN2KDM4EHSD17B10SCN5A
SCHEMBL1283529 0.77 MAPK14 (0.60) MAPK14
SCHEMBL19292958 0.77 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EHSD17B10SCN5A
SCHEMBL5767371 0.76 MAPK14 (0.55) KDM4EHSD17B10MAPK14
SCHEMBL11914748 0.75 USP7 (0.39) KDM4EHSD17B10MAPK14
SCHEMBL17229785 0.75 MAPK14 (0.48) MAPK14
SCHEMBL1283719 0.74 MAPK14 (0.46) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649240-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-05-16 US disclosed
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-10787453-B2 Octahydropyrrolopyrroles their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-09-29 US disclosed
US-10421720-B2 Octahydrocyclopentapyrroles, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-09-24 US disclosed
US-10407433-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-09-10 US disclosed
US-10273243-B2 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-04-30 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-9944644-B2 Octahydropyrrolopyrroles their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-04-17 US disclosed
US-9938291-B2 N-alkyl-2-phenoxyethanamines, their preparation and use THE TRUSTESS OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-04-10 US disclosed
US-9926271-B2 Octahydrocyclopentapyrroles, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-03-27 US disclosed
US-20100305114-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-02 US disclosed
US-20100305114-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-02 US disclosed
US-7799801-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-21 US disclosed
US-7799801-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-21 US disclosed
US-20100016233-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-21 US disclosed
US-20090324625-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-31 US disclosed
US-20090324625-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-31 US disclosed
US-7592354-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-7589102-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-15 US disclosed
US-7166596-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 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 (10 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-10273243-B2 4-phenylpiperidines, their preparation and use HTR3C, HRH4, CYP4F3 ALDH1A1 2473/4885SMN1; SMN2 4397/4885KDM4E 1332/4885
US-10407433-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 ALDH1A1 3360/4885SMN1; SMN2 3850/4885KDM4E 1520/4885
US-20090324625-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R ALDH1A1 3846/4885SMN1; SMN2 745/4885KDM4E 1038/4885
US-20100016233-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R ALDH1A1 3846/4885SMN1; SMN2 745/4885KDM4E 1038/4885
US-20210363155-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HTR3C, HRH4, CYP4F3 ALDH1A1 2713/4885SMN1; SMN2 4464/4885KDM4E 1279/4885
US-10421720-B2 Octahydrocyclopentapyrroles, their preparation and use CLN6, ALDH1A2, C1S ALDH1A1 1057/4885SMN1; SMN2 1454/4885KDM4E 4528/4885
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 ALDH1A1 2874/4885SMN1; SMN2 3561/4885KDM4E 723/4885
US-11649240-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 ALDH1A1 3360/4885SMN1; SMN2 3850/4885KDM4E 1520/4885
US-20100305114-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R ALDH1A1 3846/4885SMN1; SMN2 745/4885KDM4E 1038/4885
US-10787453-B2 Octahydropyrrolopyrroles their preparation and use QDPR, DPYD, DHPS ALDH1A1 875/4885SMN1; SMN2 2790/4885KDM4E 1304/4885

“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.