SCHEMBL6307293

SCHEMBL6307293

c1ccc2nc3c(cc2c1)CCCNCC3

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTR2C P28335 8/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
ACHE P22303 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
SCHEMBL6312101 0.92 HTR2C (0.47) MEN1NPC1RAB9AKMT2ACTSL
SCHEMBL11833898 0.84 CYP3A4 (0.46) MEN1NPC1RAB9AKMT2ACTSL
SCHEMBL2401358 0.83 CYP3A4 (0.55) MEN1NPC1RAB9AKMT2ACTSL
SCHEMBL30751773 0.83 CYP3A4 (0.55) MEN1NPC1RAB9AKMT2ACTSL
SCHEMBL30645420 0.83 NPC1 (0.49) MEN1NPC1RAB9AKMT2ACTSL
SCHEMBL452908 0.83 NPC1 (0.49) MEN1NPC1RAB9AKMT2ACTSL
SCHEMBL3506845 0.83 NPC1 (0.49) MEN1NPC1RAB9AKMT2ACTSL
SCHEMBL9347454 0.81 KMT2A (0.48) MEN1NPC1RAB9AKMT2ACTSL
Hydrochloric Acid SCHEMBL4353079 0.81 NPC1 (0.48) MEN1NPC1RAB9AKMT2ACTSL
Ammonia Solution, Strong SCHEMBL9633554 0.81 NPC1 (0.48) MEN1NPC1RAB9AKMT2ACTSL

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-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 MEN1 292/4885NPC1 1013/4885RAB9A 1132/4885

“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.