SCHEMBL6312545

SCHEMBL6312545

c1ccc2nc3cc4c(cc3cc2c1)CNCC4

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ACHE P22303 1/20 0.47
PNMT P11086 5/20 0.46
CD44 P16070 1/20 0.46
MAOB P27338 1/20 0.46
TERT O14746 1/20 0.42
HTR3A P46098 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40

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
Acridine SCHEMBL4792433 0.85 PNMT (0.66) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL6304990 0.85 PNMT (0.53) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL3247336 0.81 PNMT (0.61) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL2401358 0.79 CYP3A4 (0.55) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL222040 0.79 HTR2C (0.49) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL30751773 0.79 CYP3A4 (0.55) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL6312101 0.73 HTR2C (0.47) ALDH1A1GLAMAPTHPGDACHE
Acridine SCHEMBL27523545 0.73 ALDH1A1 (0.71) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL11833898 0.73 CYP3A4 (0.46) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL6307312 0.71 HTR2C (0.64) PNMTCD44MAOBHTR3AASIC3

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 ALDH1A1 2434/4885GLA 3149/4885MAPT 3638/4885

“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.