SCHEMBL2921048

SCHEMBL2921048

CC(=O)Nc1ccc2nc(CN(C(C)C)C(C)C)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.51
RAB9A P51151 5/20 0.51
MAPT P10636 4/20 0.51
NPC1 O15118 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GLA P06280 1/20 0.51
TNNI3 P19429 1/20 0.51
TNNT2 P45379 1/20 0.51
TNNC1 P63316 1/20 0.51
RUNX1 Q01196 1/20 0.51
CBFB Q13951 1/20 0.51
PABPC1 P11940 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ATM Q13315 1/20 0.44
ELANE P08246 2/20 0.43
LDHA P00338 2/20 0.42
LMNA P02545 1/20 0.41
MCHR1 Q99705 1/20 0.41
TERT O14746 1/20 0.40

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
SCHEMBL2927953 0.85 KDM4E (0.55) KDM4ERAB9AMAPTNPC1MEN1
SCHEMBL2926550 0.81 NPC1 (0.52) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL2929336 0.81 MCHR1 (0.55) RAB9ANPC1MEN1KMT2APABPC1
SCHEMBL2918822 0.81 KDM4E (0.59) KDM4ERAB9AMAPTNPC1MEN1
SCHEMBL2928015 0.80 MCHR1 (0.63) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL2922469 0.80 MCHR1 (0.56) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL13177201 0.80 KDM4E (0.58) KDM4ERAB9AMAPTNPC1MEN1
Hydrochloric Acid SCHEMBL2921145 0.79 KDM4E (0.56) KDM4ERAB9AMAPTNPC1MEN1
SCHEMBL2929320 0.79 NPC1 (0.54) RAB9AMAPTNPC1ALDH1A1MCHR1
SCHEMBL2926775 0.76 MCHR1 (0.54) KDM4ERAB9ANPC1MEN1KMT2A

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-1285651-B1 MELANIN CONCENTRATING HORMONE ANTAGONISTS TAKEDA PHARMACEUTICAL (JP) 2010-09-01 EP disclosed
EP-1285651-B1 MELANIN CONCENTRATING HORMONE ANTAGONISTS TAKEDA PHARMACEUTICAL (JP) 2010-09-01 EP disclosed
US-6930185-B2 Melanin-concentrating hormone antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-16 US disclosed
US-20040077628-A1 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US disclosed
EP-1285651-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2003-02-26 EP 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-20040077628-A1 Melanin-concentrating hormone antagonist MCHR1, MC1R, MCHR2 KDM4E 2403/4885RAB9A 1132/4885MAPT 3638/4885

“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.