SCHEMBL21144012

SCHEMBL21144012

FC1(F)CCC(Nc2cc(N3CCOCC3)cc(Cl)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.42
IDH1 O75874 6/20 0.39
PIK3CA P42336 4/20 0.39
AKT1 P31749 1/20 0.39
MTOR P42345 1/20 0.39
HRH4 Q9H3N8 2/20 0.39
CCNT1 O60563 1/20 0.38
IDH2 P48735 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
ALOX5 P09917 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL31127374 1.00 LRRK2 (0.42) LRRK2IDH1PIK3CAAKT1MTOR
SCHEMBL19686785 0.81 PIK3CA (0.39) LRRK2IDH1PIK3CAAKT1MTOR
SCHEMBL31127115 0.81 PIK3CA (0.39) LRRK2IDH1PIK3CAAKT1MTOR
SCHEMBL23275348 0.79 PIK3CA (0.44) IDH1PIK3CACCNT1IDH2CYP1A2
SCHEMBL21144157 0.79 CYP1A2 (0.45) LRRK2IDH1PIK3CACCNT1IDH2
SCHEMBL19686807 0.79 RAF1 (0.54) LRRK2IDH1PIK3CAHRH4IDH2
SCHEMBL31127217 0.79 CYP1A2 (0.45) LRRK2IDH1PIK3CACCNT1IDH2
SCHEMBL21165869 0.79 OPRK1 (0.44)
SCHEMBL21143962 0.78 SMN1; SMN2 (0.45) LRRK2HRH4MAPT
SCHEMBL31127337 0.78 SMN1; SMN2 (0.45) LRRK2HRH4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 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 (2 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 LRRK2 1193/4885IDH1 3017/4885PIK3CA 1182/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 LRRK2 1193/4885IDH1 3017/4885PIK3CA 1182/4885

“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.