Sugi Predict

Sugi Predict / Compounds / SCHEMBL707001

SCHEMBL707001

SCHEMBL707001

O=C(c1c[nH]c2ccc(Br)cc12)[C@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 4/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KLK7 P49862 1/20 0.47
▸ KLK5 Q9Y337 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ CTRB1 P17538 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GABRA1 P14867 1/20 0.46
▸ GABRG2 P18507 1/20 0.46
▸ GABRB3 P28472 1/20 0.46
▸ GABRA3 P34903 1/20 0.46
▸ GABRA2 P47869 1/20 0.46
▸ GABRB2 P47870 1/20 0.46
▸ UTS2R Q9UKP6 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL6967342 1.00 PREP (0.50) PREPNPSR1KLK7KLK5GFER
SCHEMBL774660 1.00 PREP (0.50) PREPNPSR1KLK7KLK5GFER
SCHEMBL8791518 0.92 GABRA1 (0.46) PREPNPSR1KLK7KLK5GFER
SCHEMBL30053426 0.90 NPSR1 (0.51) PREPNPSR1KLK7KLK5GFER
SCHEMBL30877842 0.90 NPSR1 (0.51) PREPNPSR1KLK7KLK5GFER
SCHEMBL8208549 0.90 NPSR1 (0.51) PREPNPSR1KLK7KLK5GFER
SCHEMBL30053580 0.90 NPSR1 (0.51) PREPNPSR1KLK7KLK5GFER
SCHEMBL8208547 0.90 NPSR1 (0.51) PREPNPSR1KLK7KLK5GFER
SCHEMBL29206541 0.90 NPSR1 (0.51) PREPNPSR1KLK7KLK5GFER
SCHEMBL30056 0.89 GABRA1 (0.56) PREPNPSR1KLK7KLK5CTRB1

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20230257347-A1 ADVANTAGEOUS TRYPTAMINE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-08-17 — — US disclosed
US-20230257347-A1 ADVANTAGEOUS TRYPTAMINE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-08-17 — — US disclosed
WO-2023107715-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2023-06-15 — — WO disclosed
US-8426612-B2 Synthesis of 3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-5[2-(phenylsulfonyl)ethyl]-1H-indole F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2013-04-23 — — US disclosed
CN-102936240-A Synthetic method of (R)-5-substituted-3-(N-carbobenzoxy pyrrolidine-2-based carbonyl)-1H-benzpyrole ZHEJIANG ACADEMY MEDICAL SCI 2013-02-20 — — CN disclosed
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
EP-2421853-A1 SYNTHESIS OF 3-{[(2R)-1-METHYLPYRROLIDIN-2-YL]METHYL}-5-[2-(PHENYLSULFONYL)ETHYL]-1H-INDOLE F.I.S. Fabbrica Italiana Sintetici S.p.A. (IT) 2012-02-29 — — EP disclosed
US-5502065-A TREATING HEADACHES PFIZER INC. (US) 1996-03-26 — — US disclosed
EP-0695301-A1 INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LTD (GB) 1996-02-07 — — EP disclosed
EP-0635014-B1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS PFIZER LTD (GB) 1996-01-17 — — EP disclosed
EP-0635014-A1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS. PFIZER LTD (GB) 1995-01-25 — — EP disclosed
WO-1994024127-A1 INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LIMITED (GB) 1994-10-27 — — WO disclosed
EP-0592438-A1 INDOLE DERIVATIVES. PFIZER (US) 1994-04-20 — — EP disclosed
WO-1993021177-A1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS PFIZER LIMITED (GB) 1993-10-28 — — WO disclosed
WO-1993021178-A1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS PFIZER LIMITED (GB) 1993-10-28 — — WO disclosed
WO-1992006973-A1 INDOLE DERIVATIVES PFIZER INC. (US) 1992-04-30 — — 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 PREP 81/4885NPSR1 105/4885KLK7 2095/4885
US-20230257347-A1 ADVANTAGEOUS TRYPTAMINE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT HTR6, TPH2, TPH1 PREP 1138/4885NPSR1 85/4885KLK7 1370/4885
US-20080319205-A1 Process for preparing 5-bromo-3-[(R)-1-methyl-pyrrolidin-2-ylmethyl]-1H-indole TPH1, INMT, IDO1 PREP 202/4885NPSR1 151/4885KLK7 2263/4885

“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.