SCHEMBL595000

SCHEMBL595000

COc1ccccc1C(=O)N1CCNCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.72
TSHR P16473 2/20 0.63
RXFP1 Q9HBX9 1/20 0.60
TYR P14679 1/20 0.60
KDM4E B2RXH2 3/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
ALDH1A1 P00352 2/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MAPK14 Q16539 1/20 0.58
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
NPC1 O15118 1/20 0.56
ALOX15 P16050 1/20 0.56

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 SCHEMBL594012 0.98 HTT (0.70) HTTTSHRRXFP1TYRKDM4E
Trifluoroacetic Acid SCHEMBL15824184 0.91 PKM (0.62) HTTTSHRRXFP1TYRKDM4E
SCHEMBL19766699 0.89 HTT (0.90) HTTTSHRTYRKDM4ECYP2C9
SCHEMBL11714770 0.89 HTT (0.90) HTTTSHRTYRKDM4ECYP2C9
SCHEMBL10372412 0.87 ALDH1A1 (0.66) HTTKDM4EALDH1A1POLBGAA
SCHEMBL2540114 0.85 HTT (0.90) HTTTSHRTYRKDM4ECYP2C9
SCHEMBL11139098 0.85 RXFP1 (0.57) HTTTSHRRXFP1TYRKDM4E
SCHEMBL2535573 0.84 HTT (0.88) HTTTSHRTYRKDM4ECYP2C9
SCHEMBL8253848 0.83 RXFP1 (0.77) HTTTSHRRXFP1ALDH1A1POLB
SCHEMBL10293624 0.83 HTT (0.79) HTTTSHRTYRKDM4ECYP2C9

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 13 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-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US disclosed
EP-2475643-A1 NOVEL ETHANE DIAMINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2012-07-18 EP 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
WO-2011026959-A1 NOVEL ETHANE DIAMINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2011-03-10 WO 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-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 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
CN-1305875-C Substituted 2-benzoyl piperazine methyl penem compound, and its preparing method and use MEDICINAL BIOTECHNOLOGY INST C (CN) 2007-03-21 CN disclosed
CN-1676526-A Substituted 2-benzoyl piperazine methyl penem compound, and its preparing method and use MEDICINAL BIOTECHNOLOGY INST C (CN) 2005-10-05 CN 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 (3 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 HTT 209/4885TSHR 2419/4885RXFP1 3757/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 HTT 738/4885TSHR 2802/4885RXFP1 513/4885
US-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists HAMP, SLC40A1, FTH1 HTT 2331/4885TSHR 1790/4885RXFP1 393/4885

“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.