SCHEMBL90048

SCHEMBL90048

CCOC[C@H](N)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.61
EPHX1 P07099 1/20 0.59
SCN4A P35499 3/20 0.56
ANPEP P15144 1/20 0.52
SLC6A2 P23975 2/20 0.50
TAAR1 Q96RJ0 2/20 0.50
MAOA P21397 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.44
MMP2 P08253 1/20 0.44

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
SCHEMBL23982906 1.00 TACR1 (0.61) TACR1EPHX1SCN4AANPEPSLC6A2
SCHEMBL90041 1.00 TACR1 (0.61) TACR1EPHX1SCN4AANPEPSLC6A2
Hydrochloric Acid SCHEMBL22774358 0.98 TACR1 (0.59) TACR1EPHX1SCN4AANPEPSLC6A2
Hydrochloric Acid SCHEMBL22774122 0.98 TACR1 (0.59) TACR1EPHX1SCN4AANPEPSLC6A2
Hydrochloric Acid SCHEMBL22774359 0.98 TACR1 (0.59) TACR1EPHX1SCN4AANPEPSLC6A2
SCHEMBL903590 0.82 TACR1 (0.73) TACR1EPHX1SCN4AANPEPTSHR
SCHEMBL18579714 0.82 TACR1 (0.73) TACR1EPHX1SCN4AANPEPTSHR
SCHEMBL29324444 0.82 EPHX1 (0.61) TACR1EPHX1SCN4AANPEPSLC6A2
SCHEMBL18579716 0.82 TACR1 (0.73) TACR1EPHX1SCN4AANPEPTSHR
Hydrochloric Acid SCHEMBL6735402 0.81 TACR1 (0.71) TACR1EPHX1SCN4AANPEPTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 US disclosed
WO-2009143049-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (2 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 TACR1 140/4885EPHX1 363/4885SCN4A 1452/4885
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR39, GPR65 TACR1 257/4885EPHX1 1275/4885SCN4A 2310/4885

“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.