SCHEMBL4159646

SCHEMBL4159646

CC(C)(C)c1ccc(CNCCc2cccc3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.56
NR1I2 O75469 1/20 0.56
LMNA P02545 1/20 0.56
ADRA2A P08913 1/20 0.56
CYP2D6 P10635 1/20 0.56
ACHE P22303 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
KCNH2 Q12809 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
HPGD P15428 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMPD1 P17405 1/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48
CA9 Q16790 1/20 0.48
NQO2 P16083 1/20 0.47

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
SCHEMBL9721995 0.87 MC5R (0.61) HTR2ANR1I2LMNAADRA2ACYP2D6
SCHEMBL30029284 0.87 MC5R (0.61) HTR2ANR1I2LMNAADRA2ACYP2D6
SCHEMBL24821313 0.84 HPGD (0.56) HTR2AHPGDMEN1KMT2ASMPD1
SCHEMBL2343213 0.84 HPGD (0.62) HTR2ASIGMAR1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL3792222 0.82 HPGD (0.60) HTR2ASIGMAR1HPGDMEN1KMT2A
SCHEMBL3984553 0.81 HPGD (0.56) HTR2AHPGDMEN1KMT2ASMPD1
SCHEMBL3945456 0.80 KMT2A (0.61) CYP2D6HPGDMEN1KMT2ACA1
SCHEMBL3571580 0.80 CA1 (0.50) LMNACYP2D6MEN1KMT2ACA1
SCHEMBL5177111 0.78 CA1 (0.48) MEN1KMT2ACA1CA2MPO
SCHEMBL6858815 0.78 LMNA (0.56) HTR2ANR1I2LMNAADRA2ACYP2D6

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-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US claimed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 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-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP HTR2A 1244/4885NR1I2 83/4885LMNA 883/4885

“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.