SCHEMBL3441213

SCHEMBL3441213

CC(=O)Nc1ccc2c(c1)CC(C)N(C)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
HTR2A P28223 2/20 0.49
CYP1A2 P05177 1/20 0.47
ADRA2A P08913 1/20 0.47
MAOA P21397 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR1A P08908 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4A O75164 1/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
NAMPT P43490 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
Formic Acid SCHEMBL3440737 0.95 HTR2A (0.46) HTR2CHTR2BHTR2ACYP1A2ADRA2A
SCHEMBL2246315 0.79 CYP1A2 (0.54) HTR2CHTR2BHTR2ACYP1A2ADRA2A
SCHEMBL4440526 0.75 LIPE (0.42) KDM4EALDH1A1
SCHEMBL12101309 0.75 CTSC (0.38) HTR2CHTR2BHTR2AHTR1ANAMPT
SCHEMBL3300853 0.75 TDP1 (0.48) MAPTMEN1POLBKMT2ANAMPT
SCHEMBL3300861 0.75 TDP1 (0.48) MAPTMEN1POLBKMT2ANAMPT
SCHEMBL14067305 0.74 NAMPT (0.56) HTR2CHTR2BCYP1A2ADRA2AMAOA
SCHEMBL8241195 0.74 HTR2C (0.44) HTR2CHTR2BHTR2ACYP1A2ADRA2A
SCHEMBL8669883 0.73 CA1 (0.60) HTR2CHTR2BCYP1A2ADRA2AMAOA
SCHEMBL3440858 0.72 ADRA2A (0.51) HTR2CHTR2BHTR2ACYP1A2ADRA2A

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-7807693-B2 Substituted prolinamides, manufacturing, and the use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-05 US disclosed
US-20080139605-A1 SUBSTITUTED PROLINAMIDES, MANUFACTURING, AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIN INTERNATIONAL GMBH (DE) 2008-06-12 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-20080139605-A1 SUBSTITUTED PROLINAMIDES, MANUFACTURING, AND THE USE THEREOF AS MEDICAMENTS PPID, PREP, P4HA1 HTR2C 1601/4885HTR2B 1318/4885HTR2A 2378/4885

“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.