SCHEMBL12371440

SCHEMBL12371440

CCCO[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)CCN(C)CC3)N(C(=O)Nc2ccc(Cl)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.54
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
CYP2C19 P33261 1/20 0.41
DRD3 P35462 1/20 0.41
HTR6 P50406 1/20 0.41
KCNA1 Q09470 1/20 0.40
KCNAB1 Q14722 1/20 0.40
CCR1 P32246 2/20 0.40
TSHR P16473 1/20 0.39
KLKB1 P03952 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL12371443 0.92 F10 (0.51) F10POLBCYP1A2CYP3A4CYP2D6
SCHEMBL12371442 0.91 F10 (0.44) F10POLBCYP1A2CYP3A4CYP2D6
SCHEMBL14435250 0.90 F10 (0.51) F10POLBHTR2CTSHRKLKB1
SCHEMBL8471226 0.88 F10 (0.54) F10POLBCYP1A2CYP3A4CYP2D6
SCHEMBL12371445 0.86 F10 (0.49) F10POLBCYP1A2CYP3A4CYP2D6
SCHEMBL12101291 0.86 F10 (0.52) F10POLBCYP1A2CYP3A4CYP2D6
SCHEMBL13104152 0.86 F10 (0.52) F10POLBCYP1A2CYP3A4CYP2D6
SCHEMBL12101350 0.85 F10 (0.48) F10POLBKLKB1MEN1KMT2A
SCHEMBL12101336 0.85 F10 (0.48) F10POLBKLKB1MEN1KMT2A
SCHEMBL12101293 0.85 F10 (0.53) F10POLBCYP1A2CYP3A4CYP2D6

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 F10 1628/4885POLB 1837/4885CYP1A2 909/4885

“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.