SCHEMBL15317682

SCHEMBL15317682

CC(C)(C)c1cccc(CCN2CCCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.64
SLC6A3 Q01959 3/20 0.59
SIGMAR1 Q99720 5/20 0.54
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
KDM4E B2RXH2 2/20 0.49
DRD2 P14416 1/20 0.49
SLC6A4 P31645 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TMEM97 Q5BJF2 1/20 0.47

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
SCHEMBL15317676 0.91 SIGMAR1 (0.66) HRH3SLC6A3SIGMAR1KDM4EDRD2
SCHEMBL15317686 0.86 SIGMAR1 (0.57) HRH3SLC6A3SIGMAR1
SCHEMBL25530953 0.85 ACHE (0.63) HRH3SIGMAR1
SCHEMBL25541600 0.84 SPHK1 (0.50) HRH3SIGMAR1
SCHEMBL12449567 0.83 ALDH1A1 (0.69) HRH3SIGMAR1KDM4EALDH1A1GAA
SCHEMBL25530986 0.83 HTR2A (0.46) HRH3SIGMAR1KDM4E
SCHEMBL271331 0.82 ALDH1A1 (0.71) HRH3SIGMAR1KDM4EALDH1A1GAA
SCHEMBL25541603 0.82 CARM1 (0.50) HRH3SIGMAR1ALDH1A1GAA
SCHEMBL1901538 0.81 HRH3 (0.70) HRH3SLC6A3SIGMAR1HTR1DHTR1B
SCHEMBL25530955 0.81 MEN1 (0.50) HRH3SLC6A3DRD2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 HRH3 533/4885SLC6A3 4708/4885SIGMAR1 3728/4885

“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.