SCHEMBL2926170

SCHEMBL2926170

C[C@@H]1CCC[C@H](C)N1Cc1ccc2cc(N)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
ACHE P22303 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
ADORA2A P29274 8/20 0.40
ADORA1 P30542 8/20 0.40
LTA4H P09960 1/20 0.39
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHEK1 O14757 1/20 0.37
CCR3 P51677 1/20 0.35

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
SCHEMBL2926173 1.00 ALDH1A1 (0.47) ALDH1A1ACHEHRH3ADORA2AADORA1
SCHEMBL3146950 0.84 ALDH1A1 (0.63) ALDH1A1ACHEHRH3LTA4HKDM4E
SCHEMBL6708193 0.74 ALDH1A1 (0.47) ALDH1A1ACHEHRH3LTA4HKDM4E
SCHEMBL13646584 0.74 ALDH1A1 (0.47) ALDH1A1ACHEHRH3LTA4HKDM4E
Hydrochloric Acid SCHEMBL3882312 0.73 ALDH1A1 (0.46) ALDH1A1ACHEHRH3LTA4HKDM4E
SCHEMBL2921099 0.72 ALDH1A1 (0.65) ALDH1A1ACHEHRH3
SCHEMBL13405849 0.72 ALDH1A1 (0.50) ALDH1A1ACHELTA4HKDM4E
SCHEMBL16215682 0.72 ALDH1A1 (0.52) ALDH1A1ACHEHRH3LTA4H
SCHEMBL17533290 0.72 ALDH1A1 (0.44) ALDH1A1ACHEHRH3LTA4HKDM4E
SCHEMBL2924832 0.71 ALDH1A1 (0.68) ALDH1A1ACHEHRH3KDM4E

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 ALDH1A1 2434/4885ACHE 4756/4885HRH3 139/4885

“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.