SCHEMBL5072121

SCHEMBL5072121

CCN(CC)CCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 1.00
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2D6 P10635 2/20 1.00
TSHR P16473 2/20 1.00
MEN1 O00255 1/20 1.00
ALOX15 P16050 1/20 1.00
CYP2C19 P33261 1/20 1.00
KMT2A Q03164 1/20 1.00
SIGMAR1 Q99720 3/20 0.70
PRCP P42785 2/20 0.70
ALDH1A1 P00352 4/20 0.69
POLB P06746 1/20 0.69
CHRM2 P08172 4/20 0.62
CHRM1 P11229 4/20 0.62
KDM4E B2RXH2 1/20 0.61
SLC22A1 O15245 1/20 0.61
THRB P10828 1/20 0.61
HTT P42858 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61

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
Hydrochloric Acid SCHEMBL5302449 0.99 LMNA (0.98) LMNACYP1A2CYP3A4CYP2D6TSHR
Caramiphen SCHEMBL181285 0.83 PRCP (1.00) LMNACYP1A2CYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL8107099 0.82 LMNA (0.69) LMNACYP1A2CYP3A4CYP2D6TSHR
Caramiphen SCHEMBL1374820 0.82 ALDH1A1 (1.00) LMNACYP1A2CYP3A4CYP2D6TSHR
Caramiphen SCHEMBL10898559 0.82 PRCP (0.97) LMNACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL12273135 0.81 LMNA (0.68) LMNACYP1A2CYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL7383119 0.81 ALDH1A1 (0.97) LMNACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL8107029 0.80 PRCP (0.95) LMNACYP1A2CYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL8107092 0.79 ALDH1A1 (0.95) LMNACYP1A2CYP3A4CYP2D6TSHR
Metcaraphen SCHEMBL21507 0.79 PRCP (0.70) LMNACYP1A2CYP3A4CYP2D6TSHR

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-10307428-B2 Therapeutic compositions for diabetic symmetrical polyneuropathy UNIVERSITY HEALTH NETWORK (CA) 2019-06-04 US disclosed
US-20190046540-A1 TREATMENTS FOR DIABETIC SYMMETRICAL POLYNEUROPATHY UNIVERSITY HEALTH NETWORK (CA) 2019-02-14 US disclosed
US-20130267506-A1 THERAPEUTIC COMPOSITIONS FOR DIABETIC SYMMETRICAL POLYNEUROPATHY UNIVERSITY OF MANITOBA (CA) 2013-10-10 US disclosed
WO-2012055018-A1 THERAPEUTIC COMPOSITIONS FOR DIABETIC SYMMETRICAL POLYNEUROPATHY UNIVERSITY OF MANITOBA (CA) 2012-05-03 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 (3 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-20130267506-A1 THERAPEUTIC COMPOSITIONS FOR DIABETIC SYMMETRICAL POLYNEUROPATHY CHRNA5, CHRM2, GAP43 LMNA 2276/4885CYP1A2 3977/4885CYP3A4 4130/4885
US-20190046540-A1 TREATMENTS FOR DIABETIC SYMMETRICAL POLYNEUROPATHY CHRNA5, CHRM2, CHRNE LMNA 1995/4885CYP1A2 3957/4885CYP3A4 3974/4885
US-10307428-B2 Therapeutic compositions for diabetic symmetrical polyneuropathy CHRNA5, CHRM2, GAP43 LMNA 2276/4885CYP1A2 3977/4885CYP3A4 4130/4885

“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.