SCHEMBL10107601

SCHEMBL10107601

COc1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.83
MEN1 O00255 1/20 0.76
KMT2A Q03164 1/20 0.76
POLB P06746 1/20 0.72
CCR3 P51677 1/20 0.72
DRD4 P21917 4/20 0.70
DRD3 P35462 3/20 0.70
DRD2 P14416 3/20 0.70
CYP3A4 P08684 2/20 0.70
CYP1A2 P05177 1/20 0.70
ADRA2A P08913 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
ADRA2B P18089 1/20 0.70
ADRA2C P18825 1/20 0.70
ACHE P22303 1/20 0.70
SLC6A2 P23975 1/20 0.70
HTR2A P28223 1/20 0.70
HTR2C P28335 1/20 0.70
ADRA1A P35348 1/20 0.70

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
SCHEMBL1753725 0.93 DRD4 (0.77) SLC6A12MEN1KMT2ACCR3DRD4
SCHEMBL6109825 0.88 DRD4 (0.76) SLC6A12MEN1KMT2APOLBDRD4
SCHEMBL6108886 0.86 MCHR1 (0.75) SLC6A12MEN1KMT2APOLBDRD4
SCHEMBL11533888 0.85 DRD4 (0.92) SLC6A12DRD4DRD3DRD2CYP3A4
SCHEMBL14454215 0.84 DRD4 (0.80) SLC6A12POLBDRD4DRD3DRD2
SCHEMBL6108992 0.83 MCHR1 (0.77) SLC6A12MEN1KMT2APOLBDRD4
SCHEMBL9866431 0.83 DRD4 (0.65) SLC6A12DRD4DRD3DRD2CYP3A4
SCHEMBL11383217 0.83 CCR3 (0.63) SLC6A12MEN1KMT2ACCR3DRD4
SCHEMBL10107494 0.83 SLC6A12 (0.66) SLC6A12MEN1KMT2APOLBDRD4
Clebopride SCHEMBL25259199 0.83 DRD4 (1.00) DRD4DRD3DRD2CYP3A4CYP1A2

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 SLC6A12 4389/4885MEN1 4057/4885KMT2A 3739/4885

“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.