SCHEMBL6308288

SCHEMBL6308288

c1ccc2cc3c(cc2c1)CCCNCC3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.56
DRD1 P21728 2/20 0.56
DRD4 P21917 1/20 0.56
DRD5 P21918 1/20 0.56
DRD3 P35462 1/20 0.56
HTR2C P28335 4/20 0.54
ADCY6 O43306 1/20 0.45
ADCY3 O60266 1/20 0.45
ADCY9 O60503 1/20 0.45
ADCY5 O95622 1/20 0.45
ADCY8 P40145 1/20 0.45
ADCY7 P51828 1/20 0.45
ADCY2 Q08462 1/20 0.45
ADCY1 Q08828 1/20 0.45
ADCY4 Q8NFM4 1/20 0.45
HTR2B P41595 3/20 0.44
HTR2A P28223 2/20 0.44
PNMT P11086 1/20 0.43
CD44 P16070 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL6307312 0.91 HTR2C (0.64) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4503593 0.82 HTR2C (0.80) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3247336 0.81 PNMT (0.61) DRD2DRD3HTR2CPNMTCD44
SCHEMBL599885 0.79 TSHR (0.50) MAOB
SCHEMBL29807605 0.79 TSHR (0.58)
SCHEMBL322056 0.79 TSHR (0.58)
SCHEMBL6307293 0.77 MEN1 (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4505345 0.77 HTR2C (0.70) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4502828 0.76 HTR2C (0.76) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4541419 0.75 TSHR (0.52) CYP3A4

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 DRD2 114/4885DRD1 89/4885DRD4 249/4885

“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.