SCHEMBL12371460

SCHEMBL12371460

CN1CCc2ccc(NC(=O)[C@H]3CCCN3C(=O)Nc3ccc(Cl)cn3)cc2CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
TSHR P16473 3/20 0.48
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
EP300 Q09472 2/20 0.44
CREBBP Q92793 2/20 0.44
USP2 O75604 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RHOC P08134 1/20 0.43
RHOA P61586 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
SCHEMBL12101312 0.97 TSHR (0.47) LMNATSHRGAAALDH1A1HTT
SCHEMBL12371424 0.87 TSHR (0.59) TSHRGAAALDH1A1HTTMEN1
SCHEMBL8482771 0.87 TSHR (0.59) TSHRGAAALDH1A1HTTMEN1
SCHEMBL12371427 0.85 KLKB1 (0.49) LMNATSHRGAACYP2C9CYP2C19
SCHEMBL12101320 0.81 F10 (0.54) LMNATSHR
SCHEMBL12371421 0.78 CYP2C9 (0.72) TSHRALDH1A1HTTMEN1KMT2A
SCHEMBL3830412 0.78 LMNA (0.56) LMNATSHRGAAALDH1A1KMT2A
SCHEMBL12371458 0.73 F10 (0.39)
SCHEMBL12101343 0.73 F10 (0.54) LMNATSHRMEN1KMT2A
SCHEMBL13104189 0.73 F10 (0.54) LMNATSHREP300CREBBP

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 5 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
WO-2007093595-A1 SUBSTITUTED PROLINAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-23 WO 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 LMNA 556/4885TSHR 1260/4885GAA 1602/4885

“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.