SCHEMBL22357756

SCHEMBL22357756

CC(C)n1nc(CO)c2ccc(C(C)(C)C)cc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 10/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ NLRP3 Q96P20 1/20 0.34
▸ DNMT1 P26358 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ SYK P43405 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CASR P41180 1/20 0.32
▸ SSTR5 P35346 1/20 0.32

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
SCHEMBL26997341 0.87 TMEM97 (0.34) PDE2ATMEM97SIGMAR1NLRP3POLB
SCHEMBL26997338 0.84 LMNA (0.36) PDE2ATMEM97SIGMAR1NLRP3
SCHEMBL22357753 0.83 HTR1D (0.43) PDE2ATMEM97SIGMAR1NLRP3
SCHEMBL22357752 0.81 HTR1D (0.40) PDE2ATMEM97SIGMAR1NLRP3SYK
SCHEMBL20117051 0.81 SYK (0.36) NLRP3POLBSYKALDH1A1HSD17B10
SCHEMBL22357755 0.79 MTNR1A (0.37) NLRP3POLBALDH1A1HPGDHSD17B10
SCHEMBL6112453 0.75 POLB (0.47) POLB
SCHEMBL23218320 0.71 NLRP3 (0.42) NLRP3DNMT1POLB
SCHEMBL26121564 0.70 RET (0.33) NLRP3
SCHEMBL20116951 0.69 CMKLR1 (0.35) PDE2ANLRP3POLBCASRSSTR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 — — US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 — — 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 PDE2A 453/4885TMEM97 2140/4885SIGMAR1 1839/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 PDE2A 453/4885TMEM97 2140/4885SIGMAR1 1839/4885

“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.

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