SCHEMBL730718

SCHEMBL730718

CN(C)c1c[c]cc(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
USP2 O75604 1/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
ADORA2A P29274 2/20 0.37
TLR9 Q9NR96 1/20 0.37
NCF1 P14598 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL732423 0.79 MEN1 (0.62) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL20684697 0.76 MEN1 (0.60) MEN1KMT2ARAB9ANPC1USP2
SCHEMBL732652 0.69 MEN1 (0.48) MEN1KMT2ARAB9ANPC1PKM
SCHEMBL732707 0.69 MEN1 (0.53) MEN1KMT2ARAB9ANPC1USP2
SCHEMBL4781536 0.69 MEN1 (0.39) MEN1KMT2ATSHRNCF1TAAR1
SCHEMBL195477 0.68 ALDH1A1 (0.53) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL10348831 0.68 NPC1 (1.00) MEN1KMT2ARAB9ANPC1USP2
SCHEMBL11417489 0.67 MEN1 (0.69) MEN1KMT2ARAB9ANPC1USP2
SCHEMBL27385746 0.66 ALDH1A1 (0.50) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL731199 0.66 NPC1 (0.54) MEN1KMT2ARAB9ANPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 MEN1 2567/4885KMT2A 3686/4885RAB9A 2465/4885

“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.