Sugi Predict

Sugi Predict / Compounds / SCHEMBL774660

SCHEMBL774660

SCHEMBL774660

O=C(c1c[nH]c2ccc(Br)cc12)C1CCCN1C(=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
SCHEMBL707001 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 40 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
WO-2023107715-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2023-06-15 — — WO 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
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-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
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
WO-1997043281-A1 THIOPHENE- AND FURAN-TRYPTAMINE DERIVATIVES ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-11-20 — — WO disclosed
EP-0592438-B1 INDOLE DERIVATIVES PFIZER (US) 1997-08-27 — — EP disclosed
US-5607951-A SEROTONIN AGONIST FOR NERVOUS SYSTEM DISORDERS, ANALGESICS AND PSYCHOTHERAPEUTICS PFIZER INC (US) 1997-03-04 — — US disclosed
US-5578612-A Indole derivatives PFIZER INC. (US) 1996-11-26 — — US disclosed
US-5559129-A SEROTONIN (5HT1) ANTAGONIST FOR TREATMENT OF DEPRESSION, ANXIETY, EATING DISORDERS, OBESITY, DRUG ABUSE, HEADACHES, AND PAIN PFIZER INC (US) 1996-09-24 — — US disclosed
US-5559246-A PROCESS OF DEHYDROHALOGENATION FOR CYCLIZATION TO PRODUCE PSYCHOTHERAPEUTIC AGENTS AND ANTISEROTONIN ANTAGONIST PFIZER INC. (US) 1996-09-24 — — US disclosed
US-5545644-A SEROTONIN AGONISTS; HYPOTENSIVE AND ANXIOLYTIC AGENTS; ANALGESICS; ANTIDEPRESSANTS; EATING DISORDERS; DRUG ABUSE; HEADACHES; VASCULAR DISORDERS PFIZER INC. (US) 1996-08-13 — — US disclosed
EP-0592438-A1 INDOLE DERIVATIVES. PFIZER (US) 1994-04-20 — — EP 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-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
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 PREP 100/4885NPSR1 38/4885KLK7 2830/4885

“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.