SCHEMBL5255573

SCHEMBL5255573

COc1cc([N+](=O)[O-])ccc1OCCN1CCC(F)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ ADRA1A P35348 2/20 0.46
▸ ADRA1B P35368 2/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ DRD4 P21917 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL5260556 0.95 MCHR1 (0.47) MCHR1KCNH2ADRA1AADRA1BSMN1; SMN2
SCHEMBL14370282 0.89 ALDH1A1 (0.49) MCHR1ADRA1AADRA1BSMN1; SMN2MAPT
SCHEMBL5257155 0.88 MCHR1 (0.50) MCHR1KCNH2ADRA1AADRA1BSMN1; SMN2
SCHEMBL5257435 0.88 MCHR1 (0.50) MCHR1KCNH2ADRA1AADRA1BSMN1; SMN2
SCHEMBL3863267 0.86 KDM4E (0.53) MCHR1ADRA1AADRA1BSMN1; SMN2MAPT
SCHEMBL3860586 0.85 ADRA1A (0.49) MCHR1ADRA1AADRA1BSMN1; SMN2MAPT
SCHEMBL5381777 0.83 LTA4H (0.54) MCHR1SMN1; SMN2MAPTNPC1CYP1A2
SCHEMBL264564 0.83 LTA4H (0.57) MCHR1SMN1; SMN2MAPTNPC1CYP1A2
SCHEMBL6645621 0.83 MCHR1 (0.48) MCHR1KCNH2ADRA1AADRA1BSMN1; SMN2
SCHEMBL3863019 0.83 ALDH1A1 (0.49) ADRA1AADRA1BSMN1; SMN2MAPTNPC1

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
US-7285557-B2 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2007-10-23 — — US disclosed
EP-1442025-B1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2007-03-07 — — EP disclosed
US-20040220404-A1 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2004-11-04 — — US disclosed
EP-1442025-A1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2004-08-04 — — EP disclosed
WO-2003033476-A1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2003-04-24 — — WO 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-20040220404-A1 Pyrimidinones as melanin concentrating hormone receptor 1 MC1R, MCHR1, MCHR2 MCHR1 2/4885KCNH2 3606/4885ADRA1A 80/4885

“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.

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