SCHEMBL22357765

SCHEMBL22357765

CCn1nc2cc(C(C)C)ccc2c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ PDE10A Q9Y233 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
SCHEMBL20116566 0.80 KDM4E (0.40) ADORA2AADORA2BLMNAALDH1A1KDM4E
SCHEMBL22357763 0.78 LMNA (0.37) LMNATRPA1PTGS1CACNA1CKIF11
SCHEMBL22358065 0.77 LMNA (0.36) LMNATRPA1PTGS1CACNA1CKIF11
SCHEMBL26997295 0.74 ADORA2A (0.59) ADORA2AADORA2BLMNA
SCHEMBL23084248 0.71 ADORA2A (0.42) ADORA2AADORA2BLMNATSHRKIF11
SCHEMBL20430543 0.70 ESR1 (0.41) ADORA2AADORA2BKIF11ALDH1A1KDM4E
SCHEMBL21120831 0.69 MCHR1 (0.42) ADORA2AADORA2BLMNATSHRALDH1A1
SCHEMBL21169561 0.69 HCAR3 (0.55) NPC1MAPTRAB9APOLB
SCHEMBL15341831 0.69 KDM4E (0.46) LMNAKDM4ENPC1KMT2AMEN1
SCHEMBL12120793 0.68 ADORA2A (0.39) ADORA2AADORA2BNPC1KMT2AMEN1

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-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 — — US disclosed
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 ADORA2A 687/4885ADORA2B 391/4885LMNA 1966/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ADORA2A 687/4885ADORA2B 391/4885LMNA 1966/4885

“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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