SCHEMBL5582585

SCHEMBL5582585

CC1=C(CN2CCOCC2)COc2cc(N)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2A13 Q16696 1/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
NCF1 P14598 1/20 0.36
MAPK14 Q16539 2/20 0.36
MAOB P27338 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CYP2C9 P11712 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
SCHEMBL5582749 0.90 ACHE (0.41) MAPTGAAMEN1ALDH1A1KMT2A
SCHEMBL5583074 0.71 RAB9A (0.53) MAPTKDM4ESMN1; SMN2NPC1TP53
SCHEMBL3399817 0.69 CYP2A13 (0.61) MAPTKDM4EMAPK1CYP2A13GAA
SCHEMBL4262170 0.69 CYP2A13 (0.61) MAPTKDM4ETP53MAPK1CYP2A13
SCHEMBL6340603 0.65 CYP2C9 (0.56) MAPTKDM4ESMN1; SMN2CYP2A13GAA
SCHEMBL6268368 0.65 CYP2C9 (0.51) MAPTKDM4ESMN1; SMN2CYP2A13GAA
SCHEMBL5582836 0.65 ACHE (0.43) MAPTGAAMEN1ALDH1A1KMT2A
SCHEMBL3357288 0.65 CNR2 (0.46) MAPTKDM4ESMN1; SMN2TSHRCYP2A13
Hydrochloric Acid SCHEMBL6340504 0.64 CYP2C9 (0.54) MAPTKDM4ESMN1; SMN2CYP2A13GAA
Hydrochloric Acid SCHEMBL6273897 0.64 ACHE (0.51) MAPTKDM4ESMN1; SMN2CYP2A13GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 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-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 MAPT 4140/4885KDM4E 2952/4885SMN1; SMN2 3652/4885

“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.