SCHEMBL6676837

SCHEMBL6676837

N#Cc1ccc(Oc2ccc3c(c2)CNCC3)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 8/20 0.69
DRD2 P14416 2/20 0.69
DRD3 P35462 2/20 0.69
CHRM1 P11229 1/20 0.47
PDE4A P27815 1/20 0.47
ADRA1A P35348 1/20 0.47
PDE1A P54750 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE7A Q13946 1/20 0.47
PDE3A Q14432 1/20 0.47
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL29365632 0.82 PNMT (1.00) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL351435 0.82 PNMT (1.00) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL29098052 0.82 DRD2 (0.60) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL30199078 0.82 DRD2 (0.60) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL30199554 0.81 PNMT (0.67) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL29098100 0.81 PNMT (0.67) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL29097962 0.81 PNMT (0.67) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL30199712 0.81 PNMT (0.67) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL921184 0.81 PDE4B (0.51) PNMTDRD2DRD3CHRM1PDE4A
SCHEMBL920679 0.81 PDE4B (0.51) PNMTDRD2DRD3CHRM1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465613-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-10-13 EP disclosed
US-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-08-28 US disclosed
WO-2003057205-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-07-17 WO disclosed
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-17 US disclosed
WO-2003004020-A1 HETEROARYL CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-16 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-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals APOB, LIPC, MTPN PNMT 3492/4885DRD2 4714/4885DRD3 4598/4885
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions MTTP, CETP, CES1 PNMT 2793/4885DRD2 4262/4885DRD3 3827/4885

“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.