SCHEMBL4990643

SCHEMBL4990643

NC(=O)Cc1cn(C2CCN(Cc3ccccc3)CC2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.58
PRKCG P05129 2/20 0.52
PRKCB P05771 2/20 0.52
PRKCA P17252 2/20 0.52
PRKCH P24723 2/20 0.52
PRKCE Q02156 2/20 0.52
PRKCD Q05655 2/20 0.52
CAMK2D Q13557 2/20 0.52
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
OPRK1 P41145 3/20 0.48
OPRL1 P41146 3/20 0.48
OPRM1 P35372 2/20 0.48
OPRD1 P41143 1/20 0.48
DRD2 P14416 4/20 0.46
DRD4 P21917 4/20 0.46
DRD3 P35462 4/20 0.46
SIGMAR1 Q99720 2/20 0.46
PLA2G2A P14555 1/20 0.46
CAMK2B Q13554 1/20 0.46

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
SCHEMBL4988531 0.80 HTR6 (0.56) HTR6PRKCGPRKCBPRKCAPRKCH
SCHEMBL27616615 0.79 HTR6 (0.60) HTR6PRKCGPRKCBPRKCAPRKCH
SCHEMBL24117805 0.76 PTGDR2 (0.53) OPRK1OPRL1OPRM1OPRD1
SCHEMBL8289938 0.75 PLA2G2A (0.74) PLA2G2A
SCHEMBL4989734 0.75 HTR6 (0.55) HTR6PRKCGPRKCBPRKCAPRKCH
SCHEMBL4074930 0.74 HTR6 (1.00) HTR6PRKCGPRKCBPRKCAPRKCH
SCHEMBL10366239 0.73 ICMT (0.44) OPRK1OPRL1OPRM1OPRD1SIGMAR1
SCHEMBL9493084 0.72 MEN1 (0.58) OPRK1OPRL1OPRM1OPRD1GAA
SCHEMBL8353634 0.70 ICMT (0.43) PLA2G2A
SCHEMBL30958419 0.70 PTGDR2 (0.44) BCHEACHEOPRK1OPRL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030166590-A1 Microsomal triglyceride transfer protein WETTERAU JOHN R (US) 2003-09-04 US claimed
EP-0643057-A1 Inhibitors of microsomal triglyceride transfer protein BRISTOL-MYERS SQUIBB COMPANY (US) 1995-03-15 EP claimed
US-7405305-B2 Pyrrole-2, 5dione derivatives and their used as GSK-3 inhibitors ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
EP-1487822-B1 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS LILLY CO ELI (US) 2007-08-01 EP disclosed
US-20050288321-A1 Kinase inhibitors ELI LILLY AND COMPANY 2005-12-29 US disclosed
CN-1639152-A Pyrrole-2, 5-dione derivatives and their use as GSK-3 inhibitors LILLY CO ELI (US) 2005-07-13 CN disclosed
EP-1487822-A2 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS ELI LILLY AND COMPANY (US) 2004-12-22 EP disclosed
WO-2003076398-A2 PYRROLE-2, 5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-18 WO disclosed
US-20030166590-A1 Microsomal triglyceride transfer protein WETTERAU JOHN R (US) 2003-09-04 US disclosed
US-6492365-B1 Microsomal triglyceride transfer protein BRISTOL-MYERS SQUIBB COMPANY 2002-12-10 US disclosed
US-5595872-A DNA SEQUENCES, CELLS AND EXPRESSION VECTORS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-01-21 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 (2 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-20030166590-A1 Microsomal triglyceride transfer protein MTTP, CETP, HDLBP HTR6 4330/4885PRKCG 1550/4885PRKCB 2043/4885
US-20050288321-A1 Kinase inhibitors ABL1, MAP3K20, MAP3K19 HTR6 4083/4885PRKCG 137/4885PRKCB 57/4885

“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.