SCHEMBL4963409

SCHEMBL4963409

O=C(NC[C@H](O)c1ccccc1)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 1/20 0.49
BCAT2 O15382 1/20 0.49
KDM4E B2RXH2 2/20 0.48
HTT P42858 2/20 0.48
GAA P10253 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KCNH2 Q12809 1/20 0.48
HDAC4 P56524 1/20 0.47
HSD11B1 P28845 2/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4963420 1.00 TRPA1 (0.52) TRPA1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL433860 0.81 P2RX7 (0.55) TRPA1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL4962265 0.79 MEN1 (0.60) TRPA1SMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL5200569 0.79 TRPA1 (0.46) TRPA1SMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL4962351 0.79 SMN1; SMN2 (0.49) TRPA1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4965217 0.78 SMN1; SMN2 (0.54) TRPA1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4900312 0.77 NPC1 (0.44) TRPA1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4971409 0.76 HDAC4 (0.47) TRPA1SMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL6406287 0.76 HDAC4 (0.44) TRPA1SMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL6406294 0.76 HDAC4 (0.44) TRPA1SMN1; SMN2ALDH1A1KDM4EHTT

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
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP claimed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP claimed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO claimed
US-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 US claimed
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP disclosed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP disclosed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO disclosed
US-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 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 (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-20050288338-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 TRPA1 4470/4885SMN1; SMN2 3497/4885NPC1 383/4885

“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.