SCHEMBL18505949

SCHEMBL18505949

CCC(C)(CC)c1ccc(F)cn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ BRS3 P32247 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ GRM5 P41594 2/20 0.31
▸ KCNH2 Q12809 4/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GRIN2B Q13224 1/20 0.30
▸ RIPK1 Q13546 2/20 0.30
▸ HTR2A P28223 2/20 0.30
▸ HTT P42858 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL19464697 0.89 ALDH1A1 (0.33) ALDH1A1BRS3PDE10ARIPK1
SCHEMBL22023766 0.86 TLR8 (0.33) ALDH1A1BRS3
SCHEMBL20047718 0.85 ALDH1A1 (0.31) ALDH1A1BRS3
SCHEMBL18415010 0.84 BRS3 (0.38) ALDH1A1BRS3TRPV4PDE10AKDM4E
SCHEMBL19177001 0.79 PSMD14 (0.33) GRIN2B
SCHEMBL22624130 0.79 TLR8 (0.33) —
SCHEMBL4729458 0.79 TRPV4 (0.37) ALDH1A1TRPV4PDE10AKDM4EGRM5
SCHEMBL17828092 0.78 CCR1 (0.43) ALDH1A1PDE10AKDM4EGRIN2B
SCHEMBL19509459 0.78 ESR1 (0.36) —
SCHEMBL19987518 0.77 ALDH1A1 (0.32) ALDH1A1BRS3TRPV4PDE10A

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-11225478-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2022-01-18 — — US disclosed
US-20200325138-A1 P2X7 Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-10-15 — — US disclosed
US-9708334-B2 Substituted 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole and 4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine compounds as GlyT1 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-07-18 — — US disclosed
US-20170044167-A1 SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS DART NEUROSCIENCE LLC 2017-02-16 — — 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 (3 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-20200325138-A1 P2X7 Modulators P2RX2, P2RX7, P2RY2 ALDH1A1 1628/4885BRS3 697/4885SMN1; SMN2 3812/4885
US-11225478-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 ALDH1A1 1628/4885BRS3 697/4885SMN1; SMN2 3812/4885
US-20170044167-A1 SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS GLRA1, GRIA3, GRIA4 ALDH1A1 551/4885BRS3 1794/4885SMN1; SMN2 381/4885

“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.

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