SCHEMBL15317756

SCHEMBL15317756

CC(C)(C)C1=CCN(Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.48
MC4R P32245 1/20 0.46
DRD2 P14416 4/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTT P42858 1/20 0.46
DRD4 P21917 4/20 0.45
DRD3 P35462 3/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
ACHE P22303 1/20 0.44
HTR6 P50406 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL2151933 0.85 DRD2 (0.44) SIGMAR1MC4RDRD2HTR1AHTR2A
SCHEMBL2151575 0.85 SIGMAR1 (0.43) SIGMAR1MC4RDRD2HTR1AHTR2A
SCHEMBL4465100 0.84 KDM4E (0.49) SIGMAR1MC4RDRD2HTR1AHTR2A
SCHEMBL2360647 0.82 DRD2 (0.40) SIGMAR1MC4RDRD2HTR1AHTR2A
SCHEMBL28895876 0.80 SIGMAR1 (0.44) SIGMAR1DRD2HTR1AHTR2AHTT
SCHEMBL11683468 0.79 CACNA1G (0.45) SIGMAR1HTTMEN1KMT2A
SCHEMBL1076822 0.78 SIGMAR1 (0.53) SIGMAR1MC4RDRD2HTR1AHTR2A
SCHEMBL595482 0.78 MEN1 (0.51) SIGMAR1LMNAMEN1KMT2AOPRM1
SCHEMBL8831136 0.77 SIGMAR1 (0.52) SIGMAR1MC4RDRD2HTR1AHTR2A
SCHEMBL12798134 0.76 SIGMAR1 (0.55) SIGMAR1MC4RDRD2HTR1AHTR2A

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
CN-119552110-A Synthesis method of 4-tert-butyl piperidine hydrochloride 浙江工业大学 2025-03-04 CN disclosed
US-11771697-B2 Small molecule degraders of polybromo-1 (PBRM1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-03 US disclosed
CN-116803980-A Preparation method of tetrahydropyridine derivative and hexahydropyridine derivative 中国科学院化学研究所 2023-09-26 CN disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 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 (5 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SIGMAR1 1063/4885MC4R 2453/4885DRD2 4124/4885
US-11771697-B2 Small molecule degraders of polybromo-1 (PBRM1) PBRM1, SMARCC1, SMARCC2 SIGMAR1 2181/4885MC4R 3069/4885DRD2 3888/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SIGMAR1 1063/4885MC4R 2453/4885DRD2 4124/4885
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 SIGMAR1 3728/4885MC4R 1277/4885DRD2 4801/4885
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 SIGMAR1 770/4885MC4R 1105/4885DRD2 1347/4885

“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.