SCHEMBL4258465

SCHEMBL4258465

Cc1nc(N[C@H]2CC[C@@H](NCc3cc4ccccc4[nH]3)CC2)cc(N(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 2/20 0.39
GID4 Q8IVV7 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
METTL3 Q86U44 2/20 0.36
METTL14 Q9HCE5 2/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNA7 P36544 1/20 0.35
CASR P41180 1/20 0.34

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
SCHEMBL4258466 1.00 SSTR3 (0.39) SSTR3GID4HRH3METTL3METTL14
SCHEMBL4264985 0.82 LMNA (0.50) LMNACYP1A2CYP2D6HTTSMN1; SMN2
SCHEMBL4264983 0.82 LMNA (0.50) LMNACYP1A2CYP2D6HTTSMN1; SMN2
SCHEMBL2278489 0.78 SSTR3 (0.54) SSTR3GID4HRH3CHRNA7CASR
SCHEMBL4260562 0.75 CARM1 (0.45) LMNACYP1A2CYP2D6HTTSMN1; SMN2
SCHEMBL4260567 0.75 CARM1 (0.45) LMNACYP1A2CYP2D6HTTSMN1; SMN2
SCHEMBL4257825 0.74 MCHR1 (0.43) LMNACYP1A2CYP2D6HTTSMN1; SMN2
SCHEMBL4257832 0.74 MCHR1 (0.43) LMNACYP1A2CYP2D6HTTSMN1; SMN2
SCHEMBL4260890 0.72 ALDH1A1 (0.52) LMNA
SCHEMBL4260882 0.72 ALDH1A1 (0.52) LMNA

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 2 patents. 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 claimed
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 SSTR3 478/4885GID4 240/4885HRH3 132/4885

“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.