SCHEMBL12371427

SCHEMBL12371427

C[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)CCN(C)CC3)N(C(=O)Nc2ccc(Cl)cn2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.49
F10 P00742 3/20 0.43
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
FGFR4 P22455 1/20 0.39
GAA P10253 1/20 0.38
HTR1F P30939 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
CYP2C19 P33261 1/20 0.37
DRD3 P35462 1/20 0.37
HTR6 P50406 1/20 0.37
NAMPT P43490 1/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL12101320 0.87 F10 (0.54) KLKB1F10LMNATSHRFGFR4
SCHEMBL12371460 0.85 LMNA (0.48) LMNATSHRGAACYP2C9CYP2C19
SCHEMBL12101312 0.83 TSHR (0.47) LMNATSHRGAACYP2C9CYP2C19
SCHEMBL12371425 0.80 F10 (0.57) KLKB1F10TSHRGAACYP1A2
SCHEMBL12371429 0.80 KDM4E (0.50) F10LMNAGAARAB9ASMN1; SMN2
SCHEMBL8470830 0.80 F10 (0.57) KLKB1F10TSHRGAACYP1A2
SCHEMBL13104189 0.80 F10 (0.54) KLKB1F10LMNATSHRNAMPT
SCHEMBL12101343 0.80 F10 (0.54) KLKB1F10LMNATSHRFGFR4
SCHEMBL12371471 0.78 F10 (0.46) F10TSHRGAACYP1A2CYP3A4
SCHEMBL12371428 0.78 ROCK2 (0.37) F10LMNATSHRDRD2HTR2A

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-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

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 KLKB1 2049/4885F10 1628/4885LMNA 556/4885

“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.