SCHEMBL4264985

SCHEMBL4264985

Cc1nc(NC2CCC(NCc3ccccc3)CC2)cc(N(C)C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
HTT P42858 1/20 0.50
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
OPRM1 P35372 2/20 0.44
OPRL1 P41146 2/20 0.44
GRIN2B Q13224 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
MCHR1 Q99705 2/20 0.41
CHRM3 P20309 2/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
ACHE P22303 3/20 0.40

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
SCHEMBL4264983 1.00 LMNA (0.50) LMNASMN1; SMN2CYP1A2CYP2D6HTT
SCHEMBL4260562 0.88 CARM1 (0.45) LMNASMN1; SMN2CYP1A2CYP2D6HTT
SCHEMBL4260567 0.88 CARM1 (0.45) LMNASMN1; SMN2CYP1A2CYP2D6HTT
SCHEMBL4257832 0.84 MCHR1 (0.43) LMNASMN1; SMN2CYP1A2CYP2D6HTT
SCHEMBL4257825 0.84 MCHR1 (0.43) LMNASMN1; SMN2CYP1A2CYP2D6HTT
SCHEMBL4260882 0.83 ALDH1A1 (0.52) LMNAMCHR1KDM4E
SCHEMBL4260890 0.83 ALDH1A1 (0.52) LMNAMCHR1KDM4E
SCHEMBL4263749 0.83 MCHR1 (0.53) MCHR1ACHEBACE1CCNT1BCHE
SCHEMBL4263752 0.83 MCHR1 (0.53) MCHR1ACHEBACE1CCNT1BCHE
Trifluoroacetic Acid SCHEMBL4262316 0.82 MCHR1 (0.40) LMNASMN1; SMN2CYP1A2CYP2D6HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 LMNA 2888/4885SMN1; SMN2 898/4885CYP1A2 554/4885

“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.