SCHEMBL3037421

SCHEMBL3037421

CC1(Cc2cc(F)cc(F)c2)C(=O)N(c2cccnc2)c2ccc(-c3cccc(C(F)(F)F)c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 6/20 0.40
▸ GRIN2B Q13224 6/20 0.40
▸ PIM1 P11309 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KCNA5 P22460 2/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ CCR9 P51686 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ CTSD P07339 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ AR P10275 1/20 0.35

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
SCHEMBL3040774 0.91 GRIN1 (0.40) GRIN1GRIN2BCTSDBACE1AR
SCHEMBL3037745 0.90 GRIN1 (0.39) GRIN1GRIN2BCYP1A2CYP3A4CYP2D6
SCHEMBL3027215 0.87 GRIN1 (0.39) GRIN1GRIN2BKDM4ECTSDBACE1
SCHEMBL3031160 0.86 SLC6A7 (0.38) GRIN1GRIN2BCYP2C9CTSDBACE1
SCHEMBL2785547 0.83 SLC11A2 (0.44) GRIN1GRIN2BCYP2C9KDM4EELANE
SCHEMBL3040418 0.82 BACE1 (0.37) GRIN1GRIN2BCYP11B1CYP11B2CTSD
SCHEMBL2812633 0.81 BACE1 (0.42) GRIN1GRIN2BCTSDBACE1
SCHEMBL2786317 0.81 BACE1 (0.38) GRIN1GRIN2BCTSDBACE1
SCHEMBL3027726 0.80 GRIN1 (0.37) GRIN1GRIN2BCTSDBACE1AR
SCHEMBL3027206 0.78 GRIN1 (0.43) GRIN1GRIN2BKDM4ECTSDBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273749-B2 N-substituted oxindoline derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-09-25 — — US claimed
EP-2209373-B1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME (US) 2012-05-23 — — EP claimed
US-20100216815-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO. INC. 2010-08-26 — — US claimed
US-8273749-B2 N-substituted oxindoline derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-09-25 — — US disclosed
EP-2209373-B1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME (US) 2012-05-23 — — EP disclosed
US-20100216815-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO. INC. 2010-08-26 — — 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-20100216815-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1I, CACNA1D, TRPV1 GRIN1 134/4885GRIN2B 109/4885PIM1 4807/4885

“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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