SCHEMBL3124898

SCHEMBL3124898

CCOC(=O)CCc1ccc2[nH]cc(CCc3ccccn3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ GABRA1 P14867 3/20 0.47
▸ GABRB2 P47870 3/20 0.47
▸ PKM P14618 1/20 0.46
▸ TRPM8 Q7Z2W7 1/20 0.45
▸ MAPT P10636 5/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41

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
SCHEMBL3126855 0.85 SMN1; SMN2 (0.59) SMN1; SMN2CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL3126985 0.81 SMN1; SMN2 (0.63) SMN1; SMN2CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL8787382 0.81 HTR1A (0.62) SMN1; SMN2CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL8785426 0.79 HTR1D (0.64) SMN1; SMN2CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL7838196 0.77 SMN1; SMN2 (0.57) SMN1; SMN2CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL4341122 0.76 LMNA (0.57) SMN1; SMN2CYP1A2CYP2C19MAPTLMNA
SCHEMBL8785464 0.75 HTR1A (0.65) SMN1; SMN2CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL15245742 0.74 SMN1; SMN2 (0.61) SMN1; SMN2CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL3120284 0.74 GABRA1 (0.51) SMN1; SMN2GABRA1GABRB2MAPTLMNA
SCHEMBL392573 0.74 SMN1; SMN2 (0.85) SMN1; SMN2CYP2D6CYP1A2CYP3A4CYP2C9

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
EP-2141148-B1 INDOLE DERIVATIVE HAVING CPLA2 INHIBITORY ACTIVITY, USE OF THE SAME AND METHOD FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2013-07-03 — — EP disclosed
US-8293781-B2 Indole derivatives having cPLA2 inhibiting activity and applications and production methods of the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-23 — — US disclosed
US-20100113777-A1 INDOLE DERIVATIVES HAVING cPLA2 INHIBITING ACTIVITY AND APPLICATIONS AND PRODUCTION METHODS OF THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-06 — — US disclosed
EP-2141148-A1 INDOLE DERIVATIVE HAVING CPLA2 INHIBITORY ACTIVITY, USE OF THE SAME AND METHOD FOR PRODUCING THE SAME Asubio Pharma Co., Ltd. (JP) 2010-01-06 — — EP 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-20100113777-A1 INDOLE DERIVATIVES HAVING cPLA2 INHIBITING ACTIVITY AND APPLICATIONS AND PRODUCTION METHODS OF THE SAME PLA2G4A, PLA2G2E, PLA2G6 SMN1; SMN2 4723/4885CYP2D6 1165/4885CYP1A2 345/4885

“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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