SCHEMBL593297

SCHEMBL593297

COc1ccccc1C(=O)NC1CCNCC1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.58
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
TAS1R2 Q8TE23 1/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.53
CDK1 P06493 1/20 0.53
CDK4 P11802 1/20 0.53
CCND1 P24385 1/20 0.53
CDK2 P24941 1/20 0.53
CTSD P07339 1/20 0.53
BRPF1 P55201 1/20 0.52
ATM Q13315 1/20 0.51
KCNA3 P22001 1/20 0.51

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 SCHEMBL594135 0.99 HTR4 (0.57) HTR4TAS1R3TAS1R1TAS1R2RAB9A
SCHEMBL1753596 0.95 RAB9A (0.55) HTR4TAS1R3TAS1R1TAS1R2RAB9A
SCHEMBL5482447 0.92 RAB9A (0.56) HTR4TAS1R3TAS1R1TAS1R2RAB9A
SCHEMBL1753490 0.92 DRD4 (0.55) HTR4TAS1R3TAS1R1TAS1R2RAB9A
SCHEMBL2542357 0.90 TAS1R3 (0.68) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL11099692 0.86 ALDH1A1 (0.49) HTR4TAS1R3TAS1R1TAS1R2RAB9A
SCHEMBL11236668 0.85 RAB9A (0.71) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL8219157 0.83 BRPF1 (0.51) HTR4RAB9ANPC1KMT2ACDK1
SCHEMBL16294450 0.82 KMT2A (0.64) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL10107502 0.81 HTR4 (0.67) HTR4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101528695-B MTP-INHIBITING COMPOUNDS OF PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACIDS JANSSEN PHARMACEUTICA NV 2013-07-17 CN 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-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
EP-2076494-B1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-07-28 EP 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
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
CN-101528695-A MTP-inhibiting compounds of piperidine-or piperazine-substituted tetrahydro-naphthalene-1-carboxylic acids JANSSEN PHARMACEUTICA NV (BE) 2009-09-09 CN 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

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 3253/4885TAS1R3 2261/4885TAS1R1 1555/4885

“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.