SCHEMBL16664449

SCHEMBL16664449

Cc1cc2c(cn1)C(=O)CCN2C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 3/20 0.35
SLC6A2 P23975 2/20 0.34
HTT P42858 1/20 0.33
PLK1 P53350 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SRD5A1 P18405 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1A P08908 2/20 0.31
DRD2 P14416 2/20 0.31
HTR2A P28223 2/20 0.31
NOTUM Q6P988 2/20 0.31

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
SCHEMBL18885365 0.80 NOTUM (0.34) HTTNOTUM
SCHEMBL7926276 0.75 GRM5 (0.36) NPC1TSHRRAB9ASMN1; SMN2MEN1
SCHEMBL2669112 0.73 MEN1 (0.51) MEN1KMT2AHTR1ADRD2HTR2A
SCHEMBL5023393 0.72 SRD5A1 (0.45) TSHRSMN1; SMN2SRD5A1MEN1KMT2A
SCHEMBL7923072 0.72 NPC1 (0.39) NPC1TSHRRAB9ASMN1; SMN2MEN1
SCHEMBL8883179 0.70 AR (0.34) SMN1; SMN2SRD5A1MEN1KMT2ADRD2
SCHEMBL1915610 0.69 CYP1A2 (0.42) NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL16664382 0.69 ALDH1A1 (0.41) KDM4EMEN1KMT2A
SCHEMBL21770951 0.68 CACNA2D1 (0.56) CACNA2D1SLC6A2HTTSMN1; SMN2MEN1
SCHEMBL23209678 0.68 MAOA (0.46) KDM4EDRD2

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 CACNA2D1 1636/4885SLC6A2 3228/4885HTT 1155/4885
US-20150111877-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA CACNA2D1 1636/4885SLC6A2 3228/4885HTT 1155/4885

“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.