SCHEMBL6101952

SCHEMBL6101952

O=C(Cc1ccc(Cl)cc1)c1ccncc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.66
NPC1 O15118 4/20 0.66
L3MBTL1 Q9Y468 3/20 0.64
MAPT P10636 2/20 0.62
LMNA P02545 1/20 0.57
MAPK1 P28482 2/20 0.50
KMT2A Q03164 3/20 0.49
PIK3CA P42336 2/20 0.49
MEN1 O00255 2/20 0.49
CYP3A4 P08684 2/20 0.49
HPGD P15428 2/20 0.49
NAMPT P43490 1/20 0.47
PLOD2 O00469 1/20 0.47
PLOD3 O60568 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PLOD1 Q02809 1/20 0.47

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
SCHEMBL4102938 0.93 L3MBTL1 (0.68) RAB9ANPC1L3MBTL1MAPTLMNA
SCHEMBL6203734 0.86 ALDH1A1 (0.55) RAB9ANPC1L3MBTL1MAPTLMNA
SCHEMBL1753283 0.86 RAB9A (0.85) RAB9ANPC1L3MBTL1MAPTLMNA
SCHEMBL1395223 0.81 RAB9A (0.64) RAB9ANPC1L3MBTL1KMT2ACYP3A4
SCHEMBL1993655 0.81 L3MBTL1 (0.58) RAB9ANPC1L3MBTL1LMNAKMT2A
SCHEMBL15022982 0.81 KDM4E (0.58) RAB9ANPC1MAPTLMNAKMT2A
SCHEMBL1515846 0.81 ALDH1A1 (0.66) RAB9AL3MBTL1MAPTLMNAKMT2A
SCHEMBL28837741 0.81 NPC1 (0.62) RAB9ANPC1L3MBTL1LMNAMAPK1
SCHEMBL571046 0.81 L3MBTL1 (0.85) RAB9ANPC1L3MBTL1MAPTMAPK1
SCHEMBL6281515 0.80 MAPT (0.47) RAB9ANPC1L3MBTL1MAPTLMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION SECHERING-PLOUGH CORPORATION (US) 2010-04-15 US disclosed
US-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION SECHERING-PLOUGH CORPORATION (US) 2010-04-15 US disclosed
WO-2008108957-A2 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION (US) 2008-09-12 WO disclosed
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS SCHERING CORPORATION 2008-05-22 US disclosed
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS SCHERING CORPORATION 2008-05-22 US disclosed
US-7300941-B2 Non-imidazole compounds SCHERING CORPORATION (US) 2007-11-27 US disclosed
US-7300941-B2 Non-imidazole compounds SCHERING CORPORATION (US) 2007-11-27 US disclosed
US-20060287342-A1 Triazolopyrimidine heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 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 (3 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-20060287342-A1 Triazolopyrimidine heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 RAB9A 1762/4885NPC1 1124/4885L3MBTL1 4459/4885
US-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN GPR119, ATF4, GID4 RAB9A 2235/4885NPC1 613/4885L3MBTL1 4138/4885
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS HRH2, HRH1, HRH4 RAB9A 2087/4885NPC1 451/4885L3MBTL1 4809/4885

“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.