SCHEMBL774639

SCHEMBL774639

C[C@H](c1c[nH]c2ccc(Br)cc12)C1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
SRC P12931 1/20 0.42
GUSB P08236 3/20 0.41
GPR84 Q9NQS5 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
NR4A2 P43354 1/20 0.36
IDO1 P14902 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL774111 1.00 SLC6A4 (0.43) SLC6A4MAPTALDH1A1HTTSRC
SCHEMBL1697454 1.00 SLC6A4 (0.43) SLC6A4MAPTALDH1A1HTTSRC
SCHEMBL8208352 0.86 HTR1D (0.40) SLC6A4MAPTSLC6A2SLC6A3NR4A2
SCHEMBL9287655 0.85 HTR1D (0.42) SLC6A4SLC6A2SLC6A3HTR6
SCHEMBL9287650 0.85 HTR1D (0.42) SLC6A4SLC6A2SLC6A3HTR6
SCHEMBL8507358 0.85 HTR1D (0.45) SLC6A4SLC6A2SLC6A3HTR6
SCHEMBL8209129 0.85 SLC6A4 (0.43) SLC6A4ALDH1A1GPR84SLC6A2SLC6A3
SCHEMBL8209090 0.85 SLC6A4 (0.50) SLC6A4GPR84SLC6A2SLC6A3
SCHEMBL8506282 0.82 HTR1D (0.44) SLC6A4MAPTSLC6A2SLC6A3
SCHEMBL8507170 0.82 HTR1D (0.43) SLC6A4SLC6A2SLC6A3HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090299077-A1 Salts of (R)-5-(2phenylsulphonylethenyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole, 5-bromo-3-[(R)-1-methyl-pyrrolidin-2-ylmethyl]-1H-indole and of eletriptan PLUS CHEMICALS SA (CH) 2009-12-03 US claimed
EP-2038273-A1 A PROCESS FOR PREPARING 5-BROMO-3-[(R)-1-METHYL-PYRROLIDIN-2-YLMETHYL]-1H-INDOLE Plus Chemicals B.V. (NL) 2009-03-25 EP claimed
US-20080319205-A1 Process for preparing 5-bromo-3-[(R)-1-methyl-pyrrolidin-2-ylmethyl]-1H-indole PLUS CHEMICALS S.A. (CH) 2008-12-25 US claimed
WO-2008150500-A1 A PROCESS FOR PREPARING 5-BROMO-3-[(R)-1-METHYL-PYRROLIDIN-2-YLMETHYL]-1H-INDOLE PLUS CHEMICALS, S.A. (CH) 2008-12-11 WO claimed
US-20120071669-A1 PROCESS FOR PREPARATION OF ELETRIPTAN AND SALT THEREOF USV Limited B.S.D. Mar (IN) 2012-03-22 US disclosed
WO-2012025772-A1 PROCESS FOR PREPARING PURE 5-BROMO-3-[(R)-1-METHYL-PYRROLIDIN-2-YLMETHYL]-1H-INDOLE, INTERMEDIATE FOR ELETRIPTAN POTLURI RAMESH BABU (IN) 2012-03-01 WO disclosed
WO-2012025772-A1 PROCESS FOR PREPARING PURE 5-BROMO-3-[(R)-1-METHYL-PYRROLIDIN-2-YLMETHYL]-1H-INDOLE, INTERMEDIATE FOR ELETRIPTAN POTLURI RAMESH BABU (IN) 2012-03-01 WO disclosed
WO-2012004811-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTSITUTED INDOLE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2012-01-12 WO disclosed
US-20090299077-A1 Salts of (R)-5-(2phenylsulphonylethenyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole, 5-bromo-3-[(R)-1-methyl-pyrrolidin-2-ylmethyl]-1H-indole and of eletriptan PLUS CHEMICALS SA (CH) 2009-12-03 US disclosed
US-20090299077-A1 Salts of (R)-5-(2phenylsulphonylethenyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole, 5-bromo-3-[(R)-1-methyl-pyrrolidin-2-ylmethyl]-1H-indole and of eletriptan PLUS CHEMICALS SA (CH) 2009-12-03 US disclosed
WO-2009142771-A2 SALTS OF (R)-5-(2-PHENYLSULPHONYLETHENYL)-3-(N- METHYLPYRROLIDIN-2-YLMETHYL)-1H-INDOLE, 5-BROMO-3-[(R)-1- METHYL-PYRROLIDIN-2- YLMETHYL]-1H-INDOLE AND OF ELETRIPTAN PLUS CHEMICALS, S.A. (CH) 2009-11-26 WO disclosed
EP-2038273-A1 A PROCESS FOR PREPARING 5-BROMO-3-[(R)-1-METHYL-PYRROLIDIN-2-YLMETHYL]-1H-INDOLE Plus Chemicals B.V. (NL) 2009-03-25 EP disclosed
EP-2038273-A1 A PROCESS FOR PREPARING 5-BROMO-3-[(R)-1-METHYL-PYRROLIDIN-2-YLMETHYL]-1H-INDOLE Plus Chemicals B.V. (NL) 2009-03-25 EP disclosed
US-20080319205-A1 Process for preparing 5-bromo-3-[(R)-1-methyl-pyrrolidin-2-ylmethyl]-1H-indole PLUS CHEMICALS S.A. (CH) 2008-12-25 US disclosed
US-20080319205-A1 Process for preparing 5-bromo-3-[(R)-1-methyl-pyrrolidin-2-ylmethyl]-1H-indole PLUS CHEMICALS S.A. (CH) 2008-12-25 US disclosed
US-20080319205-A1 Process for preparing 5-bromo-3-[(R)-1-methyl-pyrrolidin-2-ylmethyl]-1H-indole PLUS CHEMICALS S.A. (CH) 2008-12-25 US disclosed
WO-2008150500-A1 A PROCESS FOR PREPARING 5-BROMO-3-[(R)-1-METHYL-PYRROLIDIN-2-YLMETHYL]-1H-INDOLE PLUS CHEMICALS, S.A. (CH) 2008-12-11 WO disclosed
WO-2008150500-A1 A PROCESS FOR PREPARING 5-BROMO-3-[(R)-1-METHYL-PYRROLIDIN-2-YLMETHYL]-1H-INDOLE PLUS CHEMICALS, S.A. (CH) 2008-12-11 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 (3 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-20120071669-A1 PROCESS FOR PREPARATION OF ELETRIPTAN AND SALT THEREOF HTR3C, SLC6A4, HTR3A SLC6A4 2/4885MAPT 1319/4885ALDH1A1 2989/4885
US-20080319205-A1 Process for preparing 5-bromo-3-[(R)-1-methyl-pyrrolidin-2-ylmethyl]-1H-indole TPH1, INMT, IDO1 SLC6A4 50/4885MAPT 1308/4885ALDH1A1 1873/4885
US-20090299077-A1 Salts of (R)-5-(2phenylsulphonylethenyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole, 5-bromo-3-[(R)-1-methyl-pyrrolidin-2-ylmethyl]-1H-indole and of eletriptan TPH1, SUCNR1, TPSD1 SLC6A4 33/4885MAPT 2787/4885ALDH1A1 2005/4885

“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.