SCHEMBL4186891

SCHEMBL4186891

CN(C)C1CCN(c2cccc(Br)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.48
HTR6 P50406 4/20 0.43
HTR2B P41595 2/20 0.43
ALOX5 P09917 1/20 0.43
MCHR1 Q99705 5/20 0.42
KCNH2 Q12809 1/20 0.40
NOTUM Q6P988 1/20 0.40
HTR1D P28221 2/20 0.39
HTR3A P46098 2/20 0.39
TMEM97 Q5BJF2 2/20 0.39
MAPK8 P45983 2/20 0.39
BTK Q06187 2/20 0.39
MRGPRX2 Q96LB1 2/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR1B P28222 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ADRA1B P35368 1/20 0.39
SOS1 Q07889 2/20 0.39
MAPK10 P53779 1/20 0.39

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
SCHEMBL3665104 0.92 NPY5R (0.43) NPY5RHTR6HTR2BALOX5MCHR1
SCHEMBL2174889 0.91 NPY5R (0.53) NPY5RHTR2BALOX5TMEM97
SCHEMBL26881412 0.84 NPY5R (0.56) NPY5RHTR6HTR2BALOX5
SCHEMBL26881395 0.84 NPY5R (0.56) NPY5RHTR6HTR2BALOX5
SCHEMBL25966616 0.84 NPY5R (0.53) NPY5RALOX5MCHR1NOTUM
SCHEMBL14905667 0.84 NPY5R (0.53) NPY5RALOX5MCHR1NOTUM
SCHEMBL25966239 0.84 NPY5R (0.53) NPY5RALOX5MCHR1NOTUM
SCHEMBL14980549 0.83 NOTUM (0.57) NPY5RHTR6HTR2BMCHR1KCNH2
SCHEMBL12027635 0.83 ADRA2C (0.50) HTR6HTR2BMCHR1KCNH2NOTUM
SCHEMBL16675693 0.83 ADRA2C (0.50) HTR6HTR2BMCHR1KCNH2NOTUM

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
CN-119684317-A Macrocyclic compound and application thereof 郑州德迈药业有限公司 2025-03-25 CN disclosed
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK NPY5R 1838/4885HTR6 4038/4885HTR2B 3880/4885

“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.