SCHEMBL12371421

SCHEMBL12371421

COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc3c(c2)CCN(C)CC3)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
TSHR P16473 1/20 0.71
HCRTR1 O43613 1/20 0.62
HCRTR2 O43614 1/20 0.62
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
NPSR1 Q6W5P4 3/20 0.59
PKM P14618 1/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
EP300 Q09472 2/20 0.56
CREBBP Q92793 2/20 0.56
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL12371424 0.88 TSHR (0.59) CYP2C9CYP2C19TSHRKMT2AMEN1
SCHEMBL8482771 0.88 TSHR (0.59) CYP2C9CYP2C19TSHRKMT2AMEN1
SCHEMBL12371419 0.83 HCRTR1 (0.50) CYP2C9CYP2C19TSHRHCRTR1HCRTR2
SCHEMBL8470652 0.83 HCRTR1 (0.50) CYP2C9CYP2C19TSHRHCRTR1HCRTR2
SCHEMBL12371460 0.78 LMNA (0.48) CYP2C9CYP2C19TSHRKMT2AMEN1
SCHEMBL2707022 0.77 HCRTR1 (1.00) TSHRHCRTR1HCRTR2ALDH1A1MAPK1
SCHEMBL12101312 0.76 TSHR (0.47) CYP2C9CYP2C19TSHRKMT2AMEN1
SCHEMBL8128442 0.76 NPC1 (0.70) TSHRKMT2AMEN1TDP1ALDH1A1
SCHEMBL15436018 0.73 F10 (0.48) TSHRHCRTR1HCRTR2KMT2AMEN1
SCHEMBL12371451 0.73 F10 (0.48) TSHRHCRTR1HCRTR2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003639-B2 Substituted prolinamides, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-23 US disclosed
US-8003639-B2 Substituted prolinamides, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-23 US disclosed
US-20090048231-A1 SUBSTITUTED PROLINAMIDES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 US disclosed
US-20090048231-A1 SUBSTITUTED PROLINAMIDES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 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-20090048231-A1 SUBSTITUTED PROLINAMIDES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PREP, P4HA1, PPID CYP2C9 145/4885CYP2C19 231/4885TSHR 1260/4885

“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.