SCHEMBL2921099

SCHEMBL2921099

Nc1ccc2cc(CN3CCCC3)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
HRH3 Q9Y5N1 3/20 0.53
KMT2A Q03164 1/20 0.53
CHKA P35790 1/20 0.53
ACHE P22303 3/20 0.51
PRMT6 Q96LA8 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.50
DRD2 P14416 1/20 0.49
MAOA P21397 1/20 0.49
HRH4 Q9H3N8 1/20 0.48
MC4R P32245 1/20 0.48
MC5R P33032 1/20 0.48
PKM P14618 1/20 0.47

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
SCHEMBL2924832 0.98 ALDH1A1 (0.68) ALDH1A1HRH3KMT2ACHKAACHE
SCHEMBL6235158 0.82 ACHE (0.52) ALDH1A1HRH3KMT2AACHEPOLB
SCHEMBL31097161 0.81 KMT2A (0.77) HRH3KMT2ACHKAACHEMC4R
SCHEMBL54966 0.81 ALDH1A1 (0.96) ALDH1A1HRH3POLBSMN1; SMN2HRH4
SCHEMBL31010303 0.80 KMT2A (0.74) ALDH1A1HRH3KMT2ACHKAACHE
SCHEMBL5195380 0.80 KMT2A (0.74) ALDH1A1HRH3KMT2ACHKAACHE
SCHEMBL3156543 0.79 ALDH1A1 (1.00) ALDH1A1HRH3POLBSMN1; SMN2HRH4
SCHEMBL10616916 0.79 ALDH1A1 (1.00) ALDH1A1HRH3POLBSMN1; SMN2HRH4
SCHEMBL62541 0.79 ALDH1A1 (1.00) ALDH1A1HRH3POLBSMN1; SMN2HRH4
Hydrochloric Acid SCHEMBL5529448 0.79 ALDH1A1 (0.92) ALDH1A1HRH3ACHEPOLBSMN1; SMN2

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
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
WO-2004092181-A9 HETEROCYCLIC MCHR1 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-01-27 WO 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 2434/4885HRH3 139/4885KMT2A 1016/4885

“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.