SCHEMBL10107578

SCHEMBL10107578

COc1ccccc1C(=O)N(C)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 1/20 0.60
SLC6A12 P48065 1/20 0.56
SIGMAR1 Q99720 5/20 0.56
DRD2 P14416 3/20 0.56
HTR2A P28223 3/20 0.56
HTR2C P28335 3/20 0.56
HTR2B P41595 3/20 0.56
CHRM2 P08172 3/20 0.54
CHRM3 P20309 3/20 0.54
MCHR1 Q99705 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CCR3 P51677 1/20 0.53
KCNH2 Q12809 1/20 0.53
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
OPRM1 P35372 2/20 0.50

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
SCHEMBL11181984 0.88 MCHR1 (0.52) KDM4EALDH1A1SIGMAR1DRD2HTR2A
SCHEMBL11177526 0.87 DRD4 (0.55) SLC6A12SIGMAR1DRD2HTR2AHTR2C
SCHEMBL11188797 0.86 DRD4 (0.58) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL11183894 0.85 KCNH2 (0.49) KDM4EALDH1A1SIGMAR1DRD2HTR2A
Fumaric Acid SCHEMBL11179479 0.84 SIGMAR1 (0.56) KDM4EALDH1A1SIGMAR1DRD2HTR2A
Fumaric Acid SCHEMBL11179483 0.84 SIGMAR1 (0.56) KDM4EALDH1A1SIGMAR1DRD2HTR2A
SCHEMBL10293552 0.83 POLB (0.51) CHRM2CHRM3MCHR1MEN1KMT2A
Hydrochloric Acid SCHEMBL11182667 0.82 DRD4 (0.67) DRD2HTR2AHTR2CHTR2BKCNH2
SCHEMBL11176447 0.82 DRD4 (0.55) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL11180295 0.82 DRD4 (0.70) KDM4EDRD2HTR2AHTR2CHTR2B

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-8114880-B2 Piperidine or piperazine substituted tetrahydro-naphthalene-1-carboxylic acid MTP inhibiting compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-14 US disclosed
US-8114880-B2 Piperidine or piperazine substituted tetrahydro-naphthalene-1-carboxylic acid MTP inhibiting compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-14 US disclosed
US-20090325980-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-31 US disclosed
US-20090325980-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-31 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-20090325980-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS PNLIP, APOB, LIPC KDM4E 4438/4885ALDH1A1 1724/4885SLC6A12 4389/4885

“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.