SCHEMBL9925927

SCHEMBL9925927

CCc1cnc(N2CCC(C)CC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
AR P10275 1/20 0.43
TSHR P16473 4/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OGA O60502 6/20 0.39
PKM P14618 2/20 0.39
GPR119 Q8TDV5 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL13035392 0.89 MAPT (0.43) MAPTARTSHRALDH1A1L3MBTL1
SCHEMBL11919298 0.85 CKS1B (0.49) TSHRGPR119MEN1KMT2AHRH4
SCHEMBL8513708 0.85 SMO (0.42) MAPTGPR119HRH4
SCHEMBL12989025 0.83 ACHE (0.38) MAPTGPR119HRH4
SCHEMBL12490133 0.82 HRH4 (0.45) GPR119HRH4
SCHEMBL9925924 0.82 HRH3 (0.40) MAPTALDH1A1LMNASMN1; SMN2GPR119
SCHEMBL470548 0.81 HRH3 (0.38) ALDH1A1GPR119HRH4
SCHEMBL14642618 0.81 RAB9A (0.45) MAPTTSHRALDH1A1L3MBTL1NPC1
SCHEMBL9885064 0.80 KCNH2 (0.51) MAPTARTSHRALDH1A1L3MBTL1
SCHEMBL9925925 0.80 CYP1A2 (0.41) MAPTARALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2018-01-18 US disclosed
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-08-13 US disclosed
WO-2013012915-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-01-24 WO disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 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 (3 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-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB MAPT 1605/4885AR 2978/4885TSHR 4224/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A MAPT 2419/4885AR 2972/4885TSHR 4425/4885
US-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB MAPT 4584/4885AR 1169/4885TSHR 2387/4885

“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.