SCHEMBL5582749

SCHEMBL5582749

CC1=C(CN2CCCC2)COc2cc(N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
ALDH1A1 P00352 3/20 0.40
DRD2 P14416 1/20 0.38
MAOA P21397 1/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
NR4A1 P22736 1/20 0.37
KMT2A Q03164 1/20 0.37
PTK2B Q14289 1/20 0.37
RAD52 P43351 1/20 0.35
CHRNB4 P30926 4/20 0.34
CHRNA3 P32297 4/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
MAOB P27338 3/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
LMNA P02545 2/20 0.32

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
SCHEMBL5582585 0.90 MAPT (0.40) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL5582836 0.75 ACHE (0.43) ACHEALDH1A1DRD2MAOAGAA
SCHEMBL5382944 0.69 MCHR1 (0.50) ACHEALDH1A1DRD2MAOAGAA
SCHEMBL5582638 0.69 CYP3A4 (0.53) MAPTTHRBLMNA
SCHEMBL5582721 0.69 RAB9A (0.55) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL9977363 0.66 MAPT (0.49) ALDH1A1GAAMAPTLMNA
SCHEMBL5582662 0.66 LMNA (0.49) MAPTRAD52LMNA
SCHEMBL9609631 0.65 ACHE (0.60) ACHEALDH1A1DRD2MAOAGAA
SCHEMBL29182981 0.64 ACHE (0.63) ACHEALDH1A1DRD2MAOAGAA
Hydrochloric Acid SCHEMBL9033967 0.63 ACHE (0.59) ACHEALDH1A1DRD2MAOAGAA

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 ACHE 4858/4885ALDH1A1 1784/4885DRD2 170/4885

“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.