SCHEMBL10107502

SCHEMBL10107502

COc1ccc(Cl)cc1C(=O)NC1CCNCC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.67
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA7 P43166 1/20 0.55
CA14 Q9ULX7 1/20 0.55
LMNA P02545 1/20 0.54
DRD4 P21917 1/20 0.53
ALDH1A1 P00352 3/20 0.51
KCNMA1 Q12791 1/20 0.51
KDM1A O60341 1/20 0.51
L3MBTL1 Q9Y468 1/20 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
SCHEMBL12514758 0.82 HTR4 (0.70) HTR4DRD4ALDH1A1KDM1AL3MBTL1
SCHEMBL593297 0.81 HTR4 (0.58) HTR4L3MBTL1
Hydrochloric Acid SCHEMBL594135 0.80 HTR4 (0.57) HTR4L3MBTL1
SCHEMBL593226 0.80 HTR4 (1.00) HTR4DRD4
Hydrochloric Acid SCHEMBL534945 0.79 HTR4 (0.98) HTR4DRD4
SCHEMBL16200390 0.79 HTR4 (0.69) HTR4DRD4ALDH1A1
SCHEMBL10107498 0.78 ALDH1A1 (0.58) LMNAALDH1A1L3MBTL1
SCHEMBL9965427 0.77 HTR4 (0.49) HTR4ALDH1A1
SCHEMBL11534833 0.77 DRD4 (0.70) HTR4DRD4ALDH1A1
SCHEMBL1753596 0.77 RAB9A (0.55) HTR4ALDH1A1L3MBTL1

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 HTR4 3253/4885CA1 4824/4885CA2 4586/4885

“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.