SCHEMBL19785594

SCHEMBL19785594

Cc1cc(N)c(C)c(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
MAP4K4 O95819 1/20 0.40
PTGDR2 Q9Y5Y4 5/20 0.38
SETD7 Q8WTS6 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
RORC P51449 5/20 0.36
KCNH2 Q12809 2/20 0.36
ENPP2 Q13822 1/20 0.35
MGLL Q99685 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL29613577 1.00 HDAC1 (0.41) HDAC1MAP4K4PTGDR2SETD7GPR119
SCHEMBL15784144 0.90 PTGDR2 (0.45) HDAC1MAP4K4PTGDR2RORC
SCHEMBL29613547 0.90 PTGDR2 (0.45) HDAC1MAP4K4PTGDR2RORC
SCHEMBL15776880 0.90 PTGDR2 (0.45) HDAC1MAP4K4PTGDR2RORC
SCHEMBL17304394 0.90 PTGDR2 (0.45) HDAC1MAP4K4PTGDR2RORC
SCHEMBL18628088 0.90 RORC (0.45) HDAC1MAP4K4PTGDR2SETD7GPR119
SCHEMBL17192237 0.90 RORC (0.45) HDAC1MAP4K4PTGDR2SETD7GPR119
SCHEMBL17294448 0.87 HDAC1 (0.40) HDAC1MAP4K4PTGDR2SETD7GPR119
SCHEMBL17298113 0.87 KCNH2 (0.41) HDAC1MAP4K4PTGDR2SETD7GPR119
SCHEMBL17294446 0.87 HDAC1 (0.40) HDAC1MAP4K4PTGDR2SETD7GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476653-B Heteroaromatic modulators of retinoid-related orphan receptor gamma 利奥制药有限公司 2022-04-22 CN disclosed
US-10934282-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma LEO PHARMA A/S (DK) 2021-03-02 US disclosed
US-20200291010-A1 HETEROAROMATIC MDOULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S 2020-09-17 US disclosed
EP-3484880-B1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA AS (DK) 2020-09-02 EP disclosed
US-10662181-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma LEO PHARMA A/S (DK) 2020-05-26 US disclosed
US-20190284177-A1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S (DK) 2019-09-19 US disclosed
WO-2018011201-A1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S (DK) 2018-01-18 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 (4 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-20200291010-A1 HETEROAROMATIC MDOULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA RXRA, RORA, NR1H3 HDAC1 2374/4885MAP4K4 4600/4885PTGDR2 328/4885
US-10934282-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma RXRA, RXRG, RXRB HDAC1 1397/4885MAP4K4 4329/4885PTGDR2 434/4885
US-10662181-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma RXRA, RXRG, RXRB HDAC1 1397/4885MAP4K4 4329/4885PTGDR2 434/4885
US-20190284177-A1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA RXRA, RXRG, RXRB HDAC1 1397/4885MAP4K4 4329/4885PTGDR2 434/4885

“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.