SCHEMBL593226

SCHEMBL593226

COc1cc(N)c(Cl)cc1C(=O)NC1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 16/20 1.00
HTR3A P46098 2/20 0.69
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
ADRA2A P08913 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
DRD2 P14416 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
DRD4 P21917 1/20 0.62
ACHE P22303 1/20 0.62
SLC6A2 P23975 1/20 0.62
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
ADRA1A P35348 1/20 0.62
DRD3 P35462 1/20 0.62
OPRK1 P41145 1/20 0.62
HTR2B P41595 1/20 0.62
CHRNA4 P43681 1/20 0.62

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
Hydrochloric Acid SCHEMBL534945 0.99 HTR4 (0.98) HTR4HTR3ACYP1A2CYP3A4ADRA2A
SCHEMBL15650737 0.91 HTR4 (0.83) HTR4HTR3ACYP1A2CYP3A4ADRA2A
SCHEMBL6583155 0.87 HTR4 (0.76) HTR4ACHE
SCHEMBL6583145 0.85 HTR4 (0.73) HTR4HTR3ACYP1A2CYP3A4ADRA2A
SCHEMBL15651948 0.84 HTR4 (0.78) HTR4HTR3ACYP1A2CYP3A4ADRA2A
SCHEMBL6586524 0.84 HTR4 (0.71) HTR4HTR3ACYP1A2CYP3A4ADRA2A
SCHEMBL6584878 0.83 HTR4 (0.70) HTR4HTR3ACYP1A2CYP3A4ADRA2A
SCHEMBL12514758 0.83 HTR4 (0.70) HTR4HTR3ADRD4OPRK1
SCHEMBL9721646 0.83 HTR4 (0.79) HTR4HTR3ACYP2D6CYP2C9
SCHEMBL9759849 0.83 HTR4 (0.79) HTR4HTR3ACYP2D6CYP2C9

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 9 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
EP-2076494-B1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-07-28 EP 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
EP-2076494-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-07-08 EP disclosed
WO-2008049806-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-02 WO disclosed
EP-0213775-B1 NEW BENZAMIDES WALTON S.A. (ES) 1990-01-03 EP disclosed
US-4772618-A NONAROMATIC CYCLIC (THIO)ETHER GROUPS, AMINE INTERMEDIATES, GASTROINTESTINAL DISORDERS FORDONAL, S.A. (ES) 1988-09-20 US disclosed
EP-0213775-A1 New Benzamides WALTON S.A. (ES) 1987-03-11 EP disclosed
US-4138492-A FOR TREATMENT OF GASTROINTESTINAL DISORDERS ANPHAR, S.A. (ES) 1979-02-06 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 HTR4 3253/4885HTR3A 3654/4885CYP1A2 2179/4885

“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.