SCHEMBL4593908

SCHEMBL4593908

O=C(O)C1CCN(N2CCCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
HPGD P15428 3/20 0.43
TSHR P16473 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP2C19 P33261 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
PMP22 Q01453 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41

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
SCHEMBL13383600 0.98 LMNA (0.47) LMNAHPGDTSHRKDM4ECYP2C19
SCHEMBL20456353 0.89 NOTUM (0.42) LMNAHPGDALDH1A1NOTUM
SCHEMBL2902847 0.80 ALDH1A1 (0.47) HPGDTSHRKDM4ECYP2C19ALDH1A1
SCHEMBL1384786 0.79 SMN1; SMN2 (0.50) HPGDKDM4EALDH1A1L3MBTL1NPSR1
SCHEMBL6033251 0.79 HPGD (0.41) LMNAHPGDTSHRALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL8411684 0.77 SMN1; SMN2 (0.48) HPGDKDM4EALDH1A1L3MBTL1NPSR1
SCHEMBL16052055 0.77 ALDH1A1 (0.58) LMNAHPGDALDH1A1L3MBTL1MAPT
SCHEMBL28372145 0.76 SMN1; SMN2 (0.52) KDM4EALDH1A1L3MBTL1MAPTNPSR1
Cyclohexane SCHEMBL29067629 0.76 TSHR (0.55) LMNAHPGDTSHRCYP2C19GABRP
SCHEMBL20827449 0.74 LMNA (0.48) LMNAHPGDTSHRKDM4ECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US claimed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP claimed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US claimed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO claimed
EP-2718283-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2014-04-16 EP disclosed
WO-2012169649-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-12-13 WO disclosed
US-20080153917-A1 Sigma Receptor Ligands UCB PHARMA, S.A. (BE) 2008-06-26 US disclosed
EP-1931647-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-18 EP disclosed
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
WO-2007036532-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-05 WO disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO disclosed
US-20030171361-A1 Pyrrolopyrimidinone derivatives, process of preparation and use SK CHEMICALS CO., LTD. (KR) 2003-09-11 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 (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-20030171361-A1 Pyrrolopyrimidinone derivatives, process of preparation and use CYP2C19, DHPS, SDHA LMNA 2753/4885HPGD 115/4885TSHR 4168/4885
US-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA LMNA 2469/4885HPGD 929/4885TSHR 495/4885
US-20080153917-A1 Sigma Receptor Ligands SIGMAR1, TMEM97, OPRL1 LMNA 2072/4885HPGD 2785/4885TSHR 331/4885

“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.