SCHEMBL3582453

SCHEMBL3582453

Nc1[nH]ncc1-c1cccc(N2CCN(C(=O)OCc3ccccc3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 11/20 0.46
SIGMAR1 Q99720 11/20 0.46
HRH1 P35367 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
HRH2 P25021 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR1E P28566 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR2B P41595 1/20 0.46
ADORA2A P29274 2/20 0.44
ADORA2B P29275 1/20 0.44
HDAC1 Q13547 1/20 0.44
ADRB1 P08588 1/20 0.44

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
SCHEMBL3595368 0.89 MEN1 (0.47) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL27208439 0.80 TMEM97 (0.58) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL27755274 0.78 HTR7 (0.46) HTR1AHTR2AHTR2B
SCHEMBL21591697 0.77 TMEM97 (0.55) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL2384619 0.77 DRD2 (0.59) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL3592484 0.76 LCK (0.61) MEN1KMT2A
SCHEMBL9727540 0.76 NPSR1 (0.68) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL4167689 0.75 LMNA (0.48) HRH1HTR2ASMN1; SMN2MEN1KMT2A
SCHEMBL13006305 0.75 TMEM97 (0.55) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL13006300 0.74 TMEM97 (0.57) TMEM97SIGMAR1HRH1HRH3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-2074127-A1 PYRAZOLO [1, 5-A]PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE Novartis AG (CH) 2009-07-01 EP disclosed
WO-2008037459-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE NOVARTIS AG (CH) 2008-04-03 WO disclosed
WO-2008037459-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE NOVARTIS AG (CH) 2008-04-03 WO 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-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN TMEM97 3981/4885SIGMAR1 4220/4885HRH1 2934/4885

“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.