SCHEMBL30101799

SCHEMBL30101799

CC(C)(C)OC(=O)NCc1cc(Br)ccc1OCc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.50
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SLC6A4 P31645 4/20 0.48
LRRK2 Q5S007 2/20 0.47
USP28 Q96RU2 2/20 0.47
USP25 Q9UHP3 2/20 0.47
HTR6 P50406 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL3418906 0.88 CCR5 (0.64) CCR5LMNACYP1A2USP28USP25
SCHEMBL23275535 0.85 LRRK2 (0.54) CCR5LMNACYP1A2CYP3A4CYP2D6
SCHEMBL30101804 0.83 MEN1 (0.51) CCR5LMNACYP3A4LRRK2USP28
SCHEMBL16410244 0.81 CFD (0.48) CCR5LMNAUSP28USP25ALDH1A1
SCHEMBL20869029 0.80 ALDH1A1 (0.48) CCR5LMNAMAPTMEN1KMT2A
SCHEMBL30101803 0.80 ALDH1A1 (0.48) CCR5LMNAMAPTMEN1KMT2A
SCHEMBL17764225 0.80 CCR5 (0.44) CCR5LMNAUSP28USP25MEN1
SCHEMBL30101842 0.80 CCR5 (0.47) CCR5LMNALRRK2USP28USP25
SCHEMBL6285264 0.78 CTSS (0.56) LMNARAB9A
SCHEMBL31456961 0.78 CTSS (0.56) LMNARAB9A

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-20220411377-A1 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY 2022-12-29 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-20220411377-A1 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NOS3, NOS1, NOS2 CCR5 3927/4885LMNA 2172/4885CYP1A2 722/4885

“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.