SCHEMBL12609243

SCHEMBL12609243

Cc1nc(NC[C@H]2CC[C@H](C)CC2)sc1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.49
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
CA2 P00918 1/20 0.35
PI4KB Q9UBF8 2/20 0.35
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRM4 P08173 3/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 2/20 0.33
MAPT P10636 1/20 0.33
ACHE P22303 2/20 0.32

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
SCHEMBL2638722 0.86 CRHR1 (0.48) CRHR1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2638716 0.80 CRHR1 (0.52) CRHR1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1849317 0.70 CRHR1 (0.57) CRHR1
SCHEMBL13493665 0.68 GRIN2B (0.46) NPC1RAB9ASMN1; SMN2HPGDHTT
SCHEMBL2586747 0.66 ALDH1A1 (0.53) RAB9ASMN1; SMN2ALDH1A1GAACYP2C9
SCHEMBL1747209 0.66 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL2581646 0.65 ALDH1A1 (0.52) RAB9AALDH1A1GAAMAPTACHE
SCHEMBL18483306 0.65 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL13493711 0.65 KDM1A (0.38) CRHR1SMN1; SMN2HPGDMAPK1HSD17B10
SCHEMBL13026587 0.65 RAB9A (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273900-B2 Organic compounds NOVARTIS AG (CH) 2012-09-25 US disclosed
US-20110152261-A1 Organic compounds NOVARTIS AG (CH) 2011-06-23 US disclosed
US-20100035898-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 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-20100035898-A1 Organic compounds CRH, CRHR1, CRHR2 CRHR1 2/4885NPC1 784/4885RAB9A 3533/4885
US-20110152261-A1 Organic compounds CRH, CRHR1, CRHR2 CRHR1 2/4885NPC1 627/4885RAB9A 3527/4885

“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.