SCHEMBL12371424

SCHEMBL12371424

CN1CCc2ccc(NC(=O)[C@@H]3CCCN3C(=O)Nc3ccc(Cl)cc3)cc2CC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ALDH1A1 P00352 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CCR1 P32246 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RHOC P08134 1/20 0.53
RHOA P61586 1/20 0.53
EP300 Q09472 1/20 0.52
CREBBP Q92793 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTT P42858 1/20 0.51
GAA P10253 1/20 0.51
USP2 O75604 1/20 0.51

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
SCHEMBL8482771 1.00 TSHR (0.59) TSHRALDH1A1MEN1KMT2ACYP2C9
SCHEMBL12371421 0.88 CYP2C9 (0.72) TSHRALDH1A1MEN1KMT2ACYP2C9
SCHEMBL12371460 0.87 LMNA (0.48) TSHRALDH1A1MEN1KMT2ACYP2C9
SCHEMBL12101312 0.85 TSHR (0.47) TSHRALDH1A1MEN1KMT2ACYP2C9
SCHEMBL12371425 0.83 F10 (0.57) TSHRMEN1KMT2ACYP2C9CYP2C19
SCHEMBL8470830 0.83 F10 (0.57) TSHRMEN1KMT2ACYP2C9CYP2C19
SCHEMBL12371471 0.83 F10 (0.46) TSHRMEN1KMT2ACYP2C9CYP2C19
SCHEMBL12101349 0.82 MEN1 (0.46) TSHRMEN1KMT2ACYP2C9CYP2C19
SCHEMBL8471226 0.81 F10 (0.54) TSHRMEN1KMT2ACYP2C9CYP2C19
SCHEMBL8225519 0.80 TSHR (0.52) TSHRALDH1A1MEN1KMT2ACYP2C9

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 TSHR 1260/4885ALDH1A1 1427/4885MEN1 653/4885

“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.