SCHEMBL2924832

SCHEMBL2924832

Nc1ccc2cc(CN3CCCCC3)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
HRH3 Q9Y5N1 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
HRH4 Q9H3N8 1/20 0.52
KMT2A Q03164 1/20 0.51
CHKA P35790 1/20 0.51
ACHE P22303 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PRMT6 Q96LA8 1/20 0.49
DRD2 P14416 1/20 0.48
MAOA P21397 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL2921099 0.98 ALDH1A1 (0.65) ALDH1A1HRH3SMN1; SMN2POLBHTT
SCHEMBL31010303 0.82 KMT2A (0.74) ALDH1A1HRH3SMN1; SMN2POLBHTT
SCHEMBL5195380 0.82 KMT2A (0.74) ALDH1A1HRH3SMN1; SMN2POLBHTT
SCHEMBL3156543 0.81 ALDH1A1 (1.00) ALDH1A1HRH3SMN1; SMN2POLBHRH4
SCHEMBL62541 0.81 ALDH1A1 (1.00) ALDH1A1HRH3SMN1; SMN2POLBHRH4
SCHEMBL10616916 0.81 ALDH1A1 (1.00) ALDH1A1HRH3SMN1; SMN2POLBHRH4
SCHEMBL6235158 0.81 ACHE (0.52) ALDH1A1HRH3POLBKMT2AACHE
Hydrochloric Acid SCHEMBL16825143 0.81 KMT2A (0.72) ALDH1A1HRH3SMN1; SMN2POLBHTT
SCHEMBL31097161 0.80 KMT2A (0.77) HRH3KMT2ACHKAACHE
Hydrochloric Acid SCHEMBL7480275 0.80 ALDH1A1 (0.96) ALDH1A1HRH3SMN1; SMN2POLBHRH4

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 139/4885SMN1; SMN2 4079/4885

“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.