SCHEMBL16664443

SCHEMBL16664443

Cc1cnc2c(c1)N(C)CC(CO)C2

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.42
RORC P51449 8/20 0.38
PDE10A Q9Y233 1/20 0.32
TRPM5 Q9NZQ8 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL16664476 0.75 BRD4 (0.44) BRD4RORCPDE10ATRPM5
SCHEMBL16692277 0.69 GCK (0.33) TRPM5
SCHEMBL23416651 0.68 CCR1 (0.31)
SCHEMBL7914448 0.67 CCR1 (0.32) OPRK1
SCHEMBL16663588 0.67 RORC (0.34) RORC
SCHEMBL10688235 0.65 BRD4 (0.33) BRD4PDE10A
SCHEMBL16664441 0.65 ALDH1A1 (0.35) BRD4RORC
SCHEMBL23416654 0.65 NISCH (0.31)
SCHEMBL23416752 0.65
SCHEMBL16664453 0.64 HRH4 (0.32)

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
EP-2846804-B1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME (US) 2017-11-29 EP disclosed
US-20170313722-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2017-11-02 US disclosed
US-9657033-B2 Tetrahydronaphthyridine and related bicyclic compounds for inhibition of RORγ activity and the treatment of disease LYCERA CORPORATION (US) 2017-05-23 US disclosed
US-20150111877-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2015-04-23 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 (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-20170313722-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA BRD4 120/4885RORC 1/4885PDE10A 1522/4885
US-20150111877-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA BRD4 120/4885RORC 1/4885PDE10A 1522/4885

“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.