SCHEMBL19396332

SCHEMBL19396332

COc1ccc2c(c1)c(CN1CCN(C(=O)OC(C)(C)C)CC1)cn2Cc1ccccc1Br

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HTR6 P50406 13/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ ADRA2A P08913 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ ADRA2C P18825 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ KDM1A O60341 1/20 0.47
▸ MMP1 P03956 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ ADAM17 P78536 1/20 0.46
▸ PLA2G2A P14555 2/20 0.46
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 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
SCHEMBL17515222 0.84 HTR6 (0.75) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL18134785 0.83 HTR6 (0.72) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL19396331 0.82 HTR6 (0.57) KDM4EALDH1A1HTR6CYP3A4ADRA2A
SCHEMBL376336 0.82 ALDH1A1 (0.60) KDM4EALDH1A1KDM1AMMP1MMP9
SCHEMBL19396330 0.80 HTR6 (0.66) KDM4EALDH1A1HTR6CYP3A4ADRA2A
SCHEMBL23925168 0.79 ALDH1A1 (0.51) KDM4EALDH1A1KDM1AMMP1MMP9
SCHEMBL20629394 0.77 HTR6 (0.60) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL20629070 0.76 HTR6 (0.42) KDM4EALDH1A1HTR6CYP3A4ADRA2A
SCHEMBL28569013 0.74 VEGFA (0.69) KDM4EALDH1A1KDM1AMMP1MMP9
SCHEMBL18983290 0.73 MTNR1B (0.57) KDM4EALDH1A1MMP1MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010527-B2 Active metabolite of 1-[(2-bromophenyl)sulfonyl]-5-methoxy-3-[(4-methyl-1-piperazinyl)methyl]-1H-indole dimesylate monohydrate and dimesylate dihydrate salt of active metabolite SUVEN SCIENCES LIMITED (IN) 2018-07-03 — — US disclosed
US-20170273944-A1 ACTIVE METABOLITE OF 1-[(2-BROMOPHENYL)SULFONYL]-5-METHOXY-3-[(4-METHYL-1-PIPERAZINYL)METHYL]-1H-INDOLE DIMESYLATE MONOHYDRATE AND DIMESYLATE DIHYDRATE SALT OF ACTIVE METABOLITE SUVEN LIFE SCIENCES LIMITED (IN) 2017-09-28 — — 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 (2 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-20170273944-A1 ACTIVE METABOLITE OF 1-[(2-BROMOPHENYL)SULFONYL]-5-METHOXY-3-[(4-METHYL-1-PIPERAZINYL)METHYL]-1H-INDOLE DIMESYLATE MONOHYDRATE AND DIMESYLATE DIHYDRATE SALT OF ACTIVE METABOLITE HTR6, HTR5A, HTR1A KDM4E 1117/4885ALDH1A1 320/4885HTR6 1/4885
US-10010527-B2 Active metabolite of 1-[(2-bromophenyl)sulfonyl]-5-methoxy-3-[(4-methyl-1-piperazinyl)methyl]-1H-indole dimesylate monohydrate and dimesylate dihydrate salt of active metabolite HTR6, HTR5A, HTR1A KDM4E 1117/4885ALDH1A1 320/4885HTR6 1/4885

“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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