SCHEMBL24253899

SCHEMBL24253899

Nc1nc(Cl)cc(-n2cc(C(F)(F)F)cn2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 3/20 0.36
GABRB3 P28472 2/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 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
SCHEMBL24253730 0.84 GABRB3 (0.38) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL20075623 0.75 SLC34A1 (0.45) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL24253549 0.73 NOTUM (0.36) MAPTGABRB3GABRPGABRDGABRA1
SCHEMBL5380843 0.73 PDE10A (0.39) CYP1A2KMT2AGABRB3GABRPGABRD
SCHEMBL31118756 0.72 EPHX2 (0.40) CYP2D6MAPTCYP1A2KMT2AGABRB3
SCHEMBL23072050 0.70 CYP1A2 (0.39) CYP1A2KMT2AGABRB3GABRPGABRD
SCHEMBL12075244 0.68 EPHX2 (0.45) MAPTKMT2AGABRB3PDE10AALDH1A1
SCHEMBL20416864 0.68 KDM4E (0.46) CYP2D6MAPTCYP1A2KMT2AKDM4E
SCHEMBL3625872 0.68 MAPT (0.45) CYP2D6MAPTCYP1A2KMT2AKDM4E
SCHEMBL28606131 0.68 TRPV1 (0.43) GABRB3GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708366-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof NOVARTIS AG (CH) 2023-07-25 US disclosed
US-11708366-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof NOVARTIS AG (CH) 2023-07-25 US disclosed
US-20220048909-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-02-17 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-11708366-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof REN, NR3C2, PKD1 CYP2D6 29/4885MAPT 4450/4885CYP1A2 85/4885
US-20220048909-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF REN, NR3C2, PKD1 CYP2D6 29/4885MAPT 4450/4885CYP1A2 85/4885

“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.