SCHEMBL21074728

SCHEMBL21074728

Cc1ccccc1-c1cnc2cc3c(cc2n1)C1CC3CN(C)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ MAP4K1 Q92918 1/20 0.36
▸ CYP11B2 P19099 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ METAP2 P50579 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
SCHEMBL21074657 0.84 CHRNB2 (0.54) —
SCHEMBL13561410 0.70 CHRNB2 (0.56) MEN1KMT2A
SCHEMBL2741393 0.70 CHRNB2 (0.56) MEN1KMT2A
SCHEMBL14003843 0.70 CHRNB2 (0.56) MEN1KMT2A
SCHEMBL9453979 0.70 ALDH1A1 (0.66) NPC1RAB9APDGFRBKDRFLT3
Hydrochloric Acid SCHEMBL28048607 0.69 ALDH1A1 (0.64) NPC1RAB9APDGFRBKDRFLT3
SCHEMBL6618925 0.67 TRPA1 (0.55) NPC1RAB9APDGFRBKDRFLT3
SCHEMBL6621847 0.67 TRPA1 (0.55) NPC1RAB9APDGFRBKDRFLT3
SCHEMBL8110919 0.67 TRPA1 (0.55) NPC1RAB9APDGFRBKDRFLT3
SCHEMBL16905604 0.65 SMN1; SMN2 (0.58) NPC1RAB9APDGFRBKDRFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961296-B2 Modified ligand-gated ion channels and methods of use HOWARD HUGHES MEDICAL INSTITUTE (US) 2021-03-30 — — US disclosed
US-20190169264-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE HOWARD HUGHES MEDICAL INSTITUTE 2019-06-06 — — 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-20190169264-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE GRIK4, GRIK2, GRIK5 NPC1 546/4885RAB9A 3662/4885PDGFRB 3430/4885
US-10961296-B2 Modified ligand-gated ion channels and methods of use GRIK4, GRIK2, GRIK5 NPC1 546/4885RAB9A 3662/4885PDGFRB 3430/4885

“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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