SCHEMBL27095220

SCHEMBL27095220

Cc1nc(NCC2N(C(=O)OC(C)(C)C)CCC2(F)F)ncc1-c1ccc(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 6/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ APP P05067 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HRH2 P25021 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ SLC6A3 Q01959 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
SCHEMBL30838085 0.84 APP (0.45) HCRTR1HCRTR2APPHTR1AADRA2A
SCHEMBL24288109 0.83 MAP4K4 (0.36) HCRTR1HCRTR2SIGMAR1MAPK8MAPK9
SCHEMBL30837966 0.75 TRPV1 (0.48) HCRTR1HCRTR2
SCHEMBL30838092 0.74 PRMT5 (0.40) HCRTR1HCRTR2APPHTR1AADRA2A
SCHEMBL24288112 0.72 MAP4K4 (0.35) MAPK8MAPK9CSNK1DCSNK1A1GSK3B
SCHEMBL24288090 0.70 HRH4 (0.45) CCNT1
Hydrochloric Acid SCHEMBL30838015 0.69 HRH4 (0.45) CCNT1
SCHEMBL24288255 0.68 USP2 (0.42) MAPK8MAPK9CSNK1DCSNK1A1GSK3B
SCHEMBL24288064 0.68 ALDH1A1 (0.47) DRD2
SCHEMBL24288091 0.67 MAP4K4 (0.40) SLC6A3MAPK8MAPK9CSNK1DCSNK1A1

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-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CEREVANCE LTD (GB) 2024-02-22 — — 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-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CHRNA6, CHRM2, CHRNA1 HCRTR1 390/4885HCRTR2 682/4885APP 948/4885

“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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