SCHEMBL16776285

SCHEMBL16776285

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2nc(C)c(C)s2)C2CCN3CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ PKM P14618 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SLC27A1 Q6PCB7 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL17618763 0.91 RAB9A (0.41) RAB9AMEN1KMT2ASMN1; SMN2HRH3
SCHEMBL20632143 0.91 HRH3 (0.35) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL16775975 0.89 ALDH1A1 (0.40) ADORA2AADORA1MEN1KMT2AUSP2
SCHEMBL16776275 0.89 PIK3CG (0.36) NPC1RAB9AADORA2AADORA1MEN1
SCHEMBL17618422 0.86 RAB9A (0.40) RAB9AMEN1KMT2ASMN1; SMN2HRH3
SCHEMBL17618488 0.85 POLQ (0.38) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL17618497 0.84 ALDH1A1 (0.39) ADORA2AADORA1MEN1KMT2AUSP2
SCHEMBL17618379 0.84 ALDH1A1 (0.39) ADORA2AADORA1MEN1KMT2AUSP2
SCHEMBL17618480 0.84 LRRK2 (0.38) ADORA2AADORA1HRH3JAK2JAK1
SCHEMBL16776290 0.84 SLC27A1 (0.38) NPC1RAB9AADORA2AADORA1MEN1

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
EP-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP 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 NPC1 3380/4885RAB9A 1471/4885ADORA2A 2325/4885

“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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