SCHEMBL30101745

SCHEMBL30101745

CC(C)(C)OC(=O)NCc1cc(Br)ccc1OCc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.53
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
LMNA P02545 1/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPT P10636 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
SYK P43405 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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 0.85 CCR5 (0.64) CCR5LMNARAB9ACYP1A2MEN1
SCHEMBL23275493 0.85 CCR5 (0.63) CCR5MTNR1AMTNR1BNPC1RAB9A
SCHEMBL30101991 0.82 CCR5 (0.41) CCR5LMNAMAPTAURKBMEN1
SCHEMBL30101880 0.82 CCR5 (0.41) CCR5LMNAMAPTAURKBMEN1
SCHEMBL30101917 0.82 CCR5 (0.41) CCR5LMNARAB9AMAPTAURKB
SCHEMBL30101804 0.82 MEN1 (0.51) CCR5LMNARAB9ACYP3A4MEN1
SCHEMBL20869029 0.81 ALDH1A1 (0.48) CCR5LMNARAB9AMAPTMEN1
SCHEMBL30101803 0.81 ALDH1A1 (0.48) CCR5LMNARAB9AMAPTMEN1
SCHEMBL3413974 0.81 ALDH1A1 (0.54) LMNAKDM4EMAPTMEN1ALDH1A1
SCHEMBL30101769 0.79 LMNA (0.46) CCR5LMNANPC1RAB9AKDM4E

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 3927/4885MTNR1A 298/4885MTNR1B 164/4885

“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.