SCHEMBL1809428

SCHEMBL1809428

O=C(c1cccc2cccnc12)N1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ SYK P43405 1/20 0.49
▸ CACNA1B Q00975 12/20 0.49
▸ CTSS P25774 1/20 0.49
▸ SLC40A1 Q9NP59 1/20 0.48
▸ NR1I2 O75469 8/20 0.47
▸ CYP3A4 P08684 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CCR3 P51677 1/20 0.45
▸ PKLR P30613 1/20 0.44

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
SCHEMBL1809658 0.86 SLC40A1 (0.51) HTR2AHTR2CSYKCACNA1BSLC40A1
SCHEMBL1807902 0.82 HTR2A (0.50) HTR2AHTR2CSYKCACNA1BSLC40A1
SCHEMBL1811543 0.81 TDP1 (0.50) HTR2AHTR2CSYKSLC40A1CYP2C19
SCHEMBL1811014 0.81 CCR3 (0.50) HTR2AHTR2CSLC40A1TSHRCYP2C19
SCHEMBL1498303 0.78 CNR1 (0.51) CACNA1BCTSSNR1I2CYP3A4HTT
SCHEMBL1761018 0.77 CNR1 (0.50) CACNA1BCTSSNR1I2CYP3A4
SCHEMBL2223842 0.76 HSD11B1 (0.53) HTR2AHTR2CSLC40A1GAAHTT
Hydrochloric Acid SCHEMBL14777588 0.75 HSD11B1 (0.53) HTR2AHTR2CSLC40A1GAAHTT
SCHEMBL3038835 0.75 CACNA1B (0.64) CACNA1BNR1I2CYP3A4
SCHEMBL3039332 0.74 CACNA1B (0.66) CACNA1BNR1I2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US claimed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US claimed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 — — WO claimed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 — — 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B HTR2A 661/4885HTR2C 771/4885SYK 2703/4885

“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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