SCHEMBL2299787

SCHEMBL2299787

O=C(C1CC[N]CC1)N1CCCCC1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.72
ALDH1A1 P00352 5/20 0.59
TSHR P16473 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.47
HSD11B1 P28845 2/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
CHRNB3 Q05901 1/20 0.45
CHRNA6 Q15825 1/20 0.45
GRM5 P41594 1/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL4767716 0.98 HPGD (0.68) HPGDALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL19612780 0.84 HPGD (1.00) HPGDALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL20186941 0.84 HPGD (1.00) HPGDALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL18228450 0.84 HPGD (1.00) HPGDALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL3504308 0.84 HPGD (1.00) HPGDALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL16992039 0.84 HPGD (1.00) HPGDALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL5217652 0.83 ALDH1A1 (0.72) HPGDALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL3695372 0.82 ALDH1A1 (0.86) HPGDALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL2386976 0.82 ALDH1A1 (0.86) HPGDALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL1826063 0.82 ALDH1A1 (0.86) HPGDALDH1A1TSHRSMN1; SMN2LMNA

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-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 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-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I HPGD 1468/4885ALDH1A1 3255/4885TSHR 4164/4885

“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.