SCHEMBL16775894

SCHEMBL16775894

C[C@@H]1CCNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1ccc2c(cnn2C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ MLLT1 Q03111 5/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ MAOB P27338 2/20 0.35
▸ MAOA P21397 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
SCHEMBL16776479 0.86 SLC5A1 (0.41) FYNCA2CA9TRPV1MAPT
SCHEMBL16776472 0.85 CA2 (0.41) FYNCA2CA9TRPV1RAF1
SCHEMBL16776228 0.85 NOTUM (0.38) MLLT1MAPTNPC1ALDH1A1HPGD
SCHEMBL16776355 0.85 CA2 (0.41) FYNCA2CA9TRPV1MAOB
SCHEMBL19670225 0.83 MLLT1 (0.38) CA2CA9TRPV1CSF1RKIT
SCHEMBL16776434 0.83 PTGER3 (0.39) FYNCA2CA9KITRAF1
SCHEMBL16785534 0.83 SLC5A1 (0.43) FYNCA2CA9RAF1BRAF
SCHEMBL16775900 0.82 LMNA (0.40) FYNCA2CA9MAPTALDH1A1
SCHEMBL16776423 0.82 SMN1; SMN2 (0.48) FYNCA2CA9TRPV1MAPT
SCHEMBL16776419 0.82 BRAF (0.40) FYNCA2CA9TRPV1MAPT

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 (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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FYN 2694/4885CA2 4253/4885CA9 4248/4885

“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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