SCHEMBL4678046

SCHEMBL4678046

CC1CN(Cc2ccc(F)cc2)C(C)CN1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.56
GRM2 Q14416 5/20 0.41
MLNR O43193 2/20 0.40
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL5058871 1.00 SIGMAR1 (0.56) SIGMAR1GRM2MLNRMAPTALDH1A1
SCHEMBL14401346 1.00 SIGMAR1 (0.56) SIGMAR1GRM2MLNRMAPTALDH1A1
SCHEMBL3176427 1.00 SIGMAR1 (0.56) SIGMAR1GRM2MLNRMAPTALDH1A1
SCHEMBL3165725 1.00 SIGMAR1 (0.56) SIGMAR1GRM2MLNRMAPTALDH1A1
SCHEMBL5060895 1.00 SIGMAR1 (0.56) SIGMAR1GRM2MLNRMAPTALDH1A1
SCHEMBL10504025 0.86 SIGMAR1 (0.51) SIGMAR1GRM2MAPTALDH1A1
SCHEMBL14188698 0.86 SIGMAR1 (0.51) SIGMAR1MAPTALDH1A1
SCHEMBL5816124 0.85 SIGMAR1 (0.62) SIGMAR1MAPTALDH1A1
SCHEMBL15292046 0.84 SIGMAR1 (0.50) SIGMAR1MAPTALDH1A1
SCHEMBL3401749 0.84 ALDH1A1 (0.51) SIGMAR1MAPTALDH1A1

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988292-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-29 EP claimed
WO-1998056771-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-17 WO claimed
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed
US-20080119485-A1 Novel Benzofurans and Indols ACTIVE BIOTECH AB (SE) 2008-05-22 US disclosed
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 US disclosed
US-7339059-B2 Benzofurans and indols ACTIVE BIOTECH AB (SE) 2008-03-04 US disclosed
EP-1196404-B1 PIPERAZINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2008-01-23 EP disclosed
US-7304048-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-12-04 US disclosed
US-7291613-B2 Inhibitors of p38 kinase SCIOS, INC. (US) 2007-11-06 US disclosed
EP-1178983-B1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2007-10-24 EP disclosed
US-7268140-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2007-09-11 US disclosed
EP-1254899-A2 Piperazine derivatives and their use as anti-inflammatory agents Schering Aktiengesellschaft (DE) 2002-11-06 EP disclosed
WO-2002042292-A2 INDOL DERIVATIVE AND THEIR USE AS INHIBITORS OF P38 KINASE SCIOS INC. (US) 2002-05-30 WO disclosed
EP-1196404-A1 PIPERAZINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Astrazeneca UK Limited (GB) 2002-04-17 EP disclosed
EP-1178983-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE Scios Inc. (US) 2002-02-13 EP disclosed
US-6207665-B1 TO TREAT INFLAMMATORY DISORDERS IN HUMANS SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-27 US disclosed
WO-2001002381-A1 PIPERAZINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LIMITED (GB) 2001-01-11 WO disclosed
WO-2000071535-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2000-11-30 WO disclosed
EP-0988292-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-29 EP disclosed
WO-1998056771-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-17 WO 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-20080119485-A1 Novel Benzofurans and Indols FOXM1, IKZF3, BRPF3 SIGMAR1 288/4885GRM2 3855/4885MLNR 2401/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 SIGMAR1 1023/4885GRM2 2900/4885MLNR 3883/4885

“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.