SCHEMBL16215414

SCHEMBL16215414

CCOC(=O)[C@@H]1C2C=CC(C2)N1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
CCR8 P51685 1/20 0.40
TRPC5 Q9UL62 1/20 0.40

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
SCHEMBL29638019 1.00 PKM (0.44) PKMNPSR1ALDH1A1MEN1KMT2A
SCHEMBL29638000 1.00 PKM (0.44) PKMNPSR1ALDH1A1MEN1KMT2A
SCHEMBL23026354 0.89 PKM (0.46) PKMNPSR1ALDH1A1MEN1KMT2A
SCHEMBL22130764 0.87 SLC6A4 (0.43) NPSR1ALDH1A1KMT2AL3MBTL1HSD17B10
SCHEMBL16765639 0.87 SLC6A4 (0.43) NPSR1ALDH1A1KMT2AL3MBTL1HSD17B10
SCHEMBL16765638 0.87 SLC6A4 (0.43) NPSR1ALDH1A1KMT2AL3MBTL1HSD17B10
SCHEMBL11149702 0.80 HTR2C (0.48) PKMNPSR1ALDH1A1MEN1KMT2A
SCHEMBL25925867 0.77 ALDH1A1 (0.46) PKMNPSR1ALDH1A1MEN1KMT2A
SCHEMBL31432992 0.77 ALDH1A1 (0.48) PKMNPSR1ALDH1A1MEN1KMT2A
SCHEMBL9749200 0.77 ALDH1A1 (0.48) PKMNPSR1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-11-03 US disclosed
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-07-11 US disclosed
EP-2516430-B1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2014-11-05 EP 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-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 PKM 3975/4885NPSR1 1700/4885ALDH1A1 1682/4885
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 PKM 3975/4885NPSR1 1700/4885ALDH1A1 1682/4885

“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.