SCHEMBL5257435

SCHEMBL5257435

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 4/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ ALDH1A1 P00352 7/20 0.46
▸ ADRA1A P35348 2/20 0.45
▸ ADRA1B P35368 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ PKM P14618 1/20 0.44

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
SCHEMBL5257155 1.00 MCHR1 (0.50) MCHR1KCNH2ALDH1A1ADRA1AADRA1B
SCHEMBL6645621 0.94 MCHR1 (0.48) MCHR1KCNH2ALDH1A1ADRA1AADRA1B
SCHEMBL5255573 0.88 MCHR1 (0.50) MCHR1KCNH2ALDH1A1ADRA1AADRA1B
SCHEMBL14370282 0.88 ALDH1A1 (0.49) MCHR1ALDH1A1ADRA1AADRA1BSMN1; SMN2
SCHEMBL3863267 0.85 KDM4E (0.53) MCHR1ALDH1A1ADRA1AADRA1BSMN1; SMN2
SCHEMBL3860586 0.84 ADRA1A (0.49) MCHR1ALDH1A1ADRA1AADRA1BSMN1; SMN2
SCHEMBL3863019 0.84 ALDH1A1 (0.49) ALDH1A1ADRA1AADRA1BSMN1; SMN2LMNA
SCHEMBL5260556 0.83 MCHR1 (0.47) MCHR1KCNH2ALDH1A1ADRA1AADRA1B
SCHEMBL264564 0.83 LTA4H (0.57) MCHR1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5381777 0.83 LTA4H (0.54) MCHR1ALDH1A1SMN1; SMN2LMNAMAPT

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 8 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
US-7285557-B2 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2007-10-23 — — US disclosed
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
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 3606/4885ALDH1A1 207/4885

“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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