SCHEMBL6455735

SCHEMBL6455735

[CH2]C1CCC(Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.53
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CAMK2D Q13557 2/20 0.43
ADRA2A P08913 4/20 0.41
MERTK Q12866 1/20 0.40
ACP1 P24666 2/20 0.40
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 4/20 0.40
TSHR P16473 3/20 0.40
CYP2D6 P10635 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
NPY5R Q15761 2/20 0.39
APP P05067 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 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
SCHEMBL6465613 0.87 MCHR1 (0.53) MCHR1KDM4ELMNASMN1; SMN2CAMK2D
Hydrochloric Acid SCHEMBL6930413 0.86 MCHR1 (0.52) MCHR1KDM4ELMNASMN1; SMN2CAMK2D
Hydrochloric Acid SCHEMBL6459228 0.86 MCHR1 (0.52) MCHR1KDM4ELMNASMN1; SMN2CAMK2D
SCHEMBL6464657 0.86 MCHR1 (0.53) MCHR1KDM4ELMNASMN1; SMN2CAMK2D
SCHEMBL6464399 0.84 MCHR1 (0.52) MCHR1KDM4ELMNASMN1; SMN2CAMK2D
SCHEMBL6874577 0.84 LMNA (0.52) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6874583 0.84 LMNA (0.52) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6867658 0.82 MCHR1 (0.48) MCHR1KDM4ELMNASMN1; SMN2CAMK2D
SCHEMBL6867655 0.82 MCHR1 (0.48) MCHR1KDM4ELMNASMN1; SMN2CAMK2D
Hydrochloric Acid SCHEMBL6459226 0.81 MCHR1 (0.48) MCHR1KDM4ELMNASMN1; SMN2ADRA2A

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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MCHR1 2/4885KDM4E 1190/4885LMNA 3391/4885

“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.