SCHEMBL23022739

SCHEMBL23022739

CC(C)(C)N1CCC(Cc2ccccc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ HRH1 P35367 1/20 0.51
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ GRIN2B Q13224 4/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ NLN Q9BYT8 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ EED O75530 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ F2 P00734 1/20 0.38

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
SCHEMBL20502324 0.77 CYP2C9 (0.53) ATMDRD2HTR2AHRH1GRIN2B
SCHEMBL25434209 0.77 DRD2 (0.63) ATMDRD2HTR2AHRH1MAOA
SCHEMBL4544766 0.77 CCR3 (0.59) GRIN2BALDH1A1
SCHEMBL13272386 0.76 ATM (0.50) ATMDRD2HTR2AHRH1MAOA
SCHEMBL16825244 0.76 GPR119 (0.60) GRIN2BNLNKMT2A
SCHEMBL12404401 0.75 DRD2 (0.47) ATMDRD2HTR2AHRH1MAOA
SCHEMBL13504112 0.75 DRD2 (0.47) ATMDRD2HTR2AHRH1MAOA
SCHEMBL23022794 0.74 GRIN2B (0.46) GRIN2BGRIN1
SCHEMBL5208340 0.74 ATM (0.78) ATMDRD2HTR2AHRH1ALDH1A1
SCHEMBL7813461 0.74 HRH3 (0.52) ATMDRD2HTR2AHRH1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052603-A1 MODULATORS OF ORPHAN NUCLEAR RECEPTORS FOR NASH AND OTHER METABOLIC DISORDERS EMORY UNIVERSITY 2021-02-25 — — 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 (1 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-20210052603-A1 MODULATORS OF ORPHAN NUCLEAR RECEPTORS FOR NASH AND OTHER METABOLIC DISORDERS RORA, RORB, RORC ATM 2774/4885DRD2 3876/4885HTR2A 3569/4885

“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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