SCHEMBL3755072

SCHEMBL3755072

CO[C@@H]1CCN(c2ccnc3ccc(-c4c[nH]nc4C(F)(F)F)cc23)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.40
NCF1 P14598 4/20 0.38
LRRK2 Q5S007 5/20 0.37
CYP8B1 Q9UNU6 4/20 0.36
PIK3CA P42336 2/20 0.35
CYP2C19 P33261 1/20 0.35
MTOR P42345 1/20 0.34
PDE10A Q9Y233 1/20 0.34
ADRB2 P07550 1/20 0.34
PDE1B Q01064 1/20 0.34
SYK P43405 1/20 0.33
TYRO3 Q06418 1/20 0.33

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
Hydrochloric Acid SCHEMBL3850897 0.99 CHRM4 (0.40) CHRM4NCF1LRRK2CYP8B1PIK3CA
Hydrochloric Acid SCHEMBL3856763 0.94 CHRM4 (0.43) CHRM4NCF1LRRK2CYP8B1PIK3CA
SCHEMBL3767256 0.87 CHRM4 (0.43) CHRM4NCF1LRRK2PIK3CACYP2C19
Hydrochloric Acid SCHEMBL3845747 0.86 CHRM4 (0.42) CHRM4NCF1LRRK2PIK3CACYP2C19
SCHEMBL3851844 0.81 CYP3A4 (0.50) CHRM4NCF1CYP8B1PIK3CA
SCHEMBL3854617 0.81 CHRM4 (0.47) CHRM4NCF1CYP8B1PIK3CA
SCHEMBL13874431 0.81 CHRM4 (0.46) CHRM4NCF1LRRK2PIK3CACYP2C19
Hydrochloric Acid SCHEMBL4717123 0.80 CHRM4 (0.46) CHRM4NCF1CYP8B1PIK3CA
Hydrochloric Acid SCHEMBL3849538 0.80 CHRM4 (0.46) CHRM4NCF1LRRK2PIK3CACYP2C19
SCHEMBL3852542 0.80 GAA (0.51) NCF1MTOR

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-20100305065-A1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2010-12-02 US claimed

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-20100305065-A1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS ARG1, LPO, CTSL CHRM4 1206/4885NCF1 892/4885LRRK2 1267/4885

“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.