SCHEMBL14511631

SCHEMBL14511631

Cc1nc(C(=O)N2CCOCC2)c(C2CCCCC2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ USP2 O75604 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PIN1 Q13526 1/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ PIK3CD O00329 6/20 0.38
▸ PIK3R2 O00459 6/20 0.38
▸ PIK3CA P42336 6/20 0.38
▸ PIK3CB P42338 6/20 0.38
▸ PIK3CG P48736 6/20 0.38
▸ PIK3R5 Q8WYR1 6/20 0.38
▸ PIK3R3 Q92569 6/20 0.38
▸ PKM P14618 1/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL14511634 0.76 ALDH1A1 (0.45) ALDH1A1MAPTUSP2POLBPIN1
SCHEMBL14511647 0.72 ALDH1A1 (0.44) ALDH1A1MAPTUSP2PIN1LMNA
SCHEMBL14511629 0.70 MAPT (0.43) ALDH1A1MAPTPIN1LMNAHTT
SCHEMBL14511635 0.68 RAB9A (0.50) ALDH1A1PIN1LMNAHTTNPC1
SCHEMBL14511637 0.67 PIN1 (0.50) ALDH1A1MAPTPOLBPIN1LMNA
SCHEMBL24018921 0.65 HPGD (0.54) ALDH1A1MAPTHTTPKMNPC1
SCHEMBL14511632 0.65 MEN1 (0.44) ALDH1A1MAPTPOLBPIN1NPC1
SCHEMBL8264513 0.61 FGFR1 (0.55) ALDH1A1MAPTHTTPKMSMN1; SMN2
SCHEMBL14736498 0.60 PDE10A (0.51) ALDH1A1PIN1LMNAHTTHTR2C
SCHEMBL4375378 0.60 HTT (0.40) ALDH1A1MAPTUSP2POLBLMNA

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-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 — — US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 — — 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-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 ALDH1A1 1875/4885MAPT 1133/4885USP2 4495/4885

“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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