SCHEMBL5389879

SCHEMBL5389879

COc1cc([N+](=O)[O-])ccc1OCCN1[C@H](C)CCC[C@@H]1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ LMNA P02545 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ KCNA3 P22001 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
SCHEMBL3870460 1.00 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL5381533 0.95 MAPT (0.49) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL5381743 0.86 HRH3 (0.56) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL5388625 0.85 HRH3 (0.52) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL3863267 0.81 KDM4E (0.53) SMN1; SMN2ALDH1A1MAPTHPGDNPC1
SCHEMBL5381777 0.81 LTA4H (0.54) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL264564 0.81 LTA4H (0.57) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL14370282 0.80 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL3857414 0.79 HTR2A (0.50) SMN1; SMN2MAPTHTR2AHTR2CHTR2B
SCHEMBL3866421 0.79 KDM4E (0.53) SMN1; SMN2ALDH1A1LMNAMAPTHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220777-B2 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2007-05-22 — — US disclosed
EP-1436267-B1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2006-12-27 — — EP disclosed
US-20060287321-A1 Novel Lactam Derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-21 — — US disclosed
US-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2005-03-17 — — US 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 (2 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-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors ADRB3, GPR3, ADRB1 SMN1; SMN2 3783/4885ALDH1A1 2468/4885LMNA 2857/4885
US-20060287321-A1 Novel Lactam Derivatives MRPL21, PEPD, STS SMN1; SMN2 2924/4885ALDH1A1 2328/4885LMNA 3313/4885

“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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