Sugi Predict

Sugi Predict / Compounds / SCHEMBL12371477

SCHEMBL12371477

SCHEMBL12371477

CC1CCC(C(=O)Nc2ccc3c(c2)CCN(C)CC3)N1C(=O)Nc1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ FPR2 P25090 2/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ FPR3 P25089 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ MELK Q14680 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ PTPN5 P54829 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL14435008 0.89 MELK (0.55) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL12371429 0.82 KDM4E (0.50) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL12101393 0.81 NPC1 (0.42) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL8471194 0.80 MEN1 (0.53) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL12371426 0.80 MEN1 (0.53) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL13104202 0.79 NPC1 (0.46) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL12101338 0.78 MEN1 (0.50) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL12371474 0.78 RAB9A (0.40) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL12371476 0.77 NPC1 (0.39) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL12371475 0.77 NPC1 (0.39) NPC1RAB9AMAPTKMT2AMEN1

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 NPC1 3086/4885RAB9A 1664/4885MAPT 147/4885

“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.