SCHEMBL20053799

SCHEMBL20053799

CCC(C)c1nnc2ccccn12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 5/20 0.49
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 3/20 0.39
PIM1 P11309 4/20 0.39
PIM2 Q9P1W9 4/20 0.39
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.37
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL19297200 0.87 KDM4E (0.48) KDM4EALDH1A1LMNATDP1POLB
SCHEMBL21237806 0.84 KDM4E (0.50) KDM4EALDH1A1LMNATDP1POLB
SCHEMBL19297194 0.84 KDM4E (0.44) KDM4EALDH1A1LMNATDP1POLB
SCHEMBL22958087 0.83 KDM4E (0.43) KDM4EALDH1A1LMNATDP1POLB
SCHEMBL2600740 0.82 KDM4E (0.50) KDM4EALDH1A1LMNAKMT2AHSD17B10
SCHEMBL20858133 0.79 KDM4E (0.45) KDM4EALDH1A1LMNATDP1POLB
SCHEMBL8720509 0.79 LMNA (0.51) KDM4EALDH1A1LMNATDP1POLB
SCHEMBL8720568 0.79 KDM4E (0.47) KDM4EALDH1A1LMNATDP1POLB
SCHEMBL26831413 0.79 KDM4E (0.47) KDM4EALDH1A1LMNATDP1POLB
SCHEMBL19861782 0.78 KDM4E (0.50) KDM4EALDH1A1LMNATDP1KMT2A

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 11 patents. 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-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO INC (US) 2023-01-05 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-20210228563-A1 METHODS OF TREATING RBP4 RELATED DISEASES WITH TRIAZOLOPYRIDINES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-07-29 US disclosed
US-20210214360-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-07-15 US disclosed
US-11007186-B2 Methods of treating RBP4 related diseases with triazolopyridines BELITE BIO, INC (KY) 2021-05-18 US disclosed
US-10570148-B2 N-alkyl-2-phenoxyethanamines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-02-25 US disclosed
US-20190240212-A1 METHODS OF TREATING RBP4 RELATED DISEASES WITH TRIAZOLOPYRIDINES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-08-08 US disclosed
US-10245259-B2 Methods of treating RBP4 related diseases with triazolopyridines BELITE BIO, INC (KY) 2019-04-02 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

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-10570148-B2 N-alkyl-2-phenoxyethanamines, their preparation and use HRH3, CBR3, KCNH3 KDM4E 723/4885ALDH1A1 2874/4885LMNA 1859/4885
US-20210363155-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HTR3C, HRH4, CYP4F3 KDM4E 1279/4885ALDH1A1 2713/4885LMNA 4578/4885
US-10245259-B2 Methods of treating RBP4 related diseases with triazolopyridines RBP4, RBP1, RBBP4 KDM4E 636/4885ALDH1A1 1947/4885LMNA 1247/4885
US-20210214360-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 KDM4E 1520/4885ALDH1A1 3360/4885LMNA 3923/4885
US-20210228563-A1 METHODS OF TREATING RBP4 RELATED DISEASES WITH TRIAZOLOPYRIDINES RBP4, RBP1, RBBP4 KDM4E 636/4885ALDH1A1 1947/4885LMNA 1247/4885
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT KDM4E 3060/4885ALDH1A1 2151/4885LMNA 3473/4885
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 KDM4E 723/4885ALDH1A1 2874/4885LMNA 1859/4885
US-11007186-B2 Methods of treating RBP4 related diseases with triazolopyridines RBP4, RBP1, RBBP4 KDM4E 636/4885ALDH1A1 1947/4885LMNA 1247/4885
US-20190240212-A1 METHODS OF TREATING RBP4 RELATED DISEASES WITH TRIAZOLOPYRIDINES RBP4, RBP1, RBBP4 KDM4E 636/4885ALDH1A1 1947/4885LMNA 1247/4885
US-11649240-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 KDM4E 1520/4885ALDH1A1 3360/4885LMNA 3923/4885

“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.