Sugi Predict

Sugi Predict / Compounds / 2-Methyl Gramine

2-Methyl Gramine

2-Methyl Gramine

SCHEMBL2519973

Cc1[nH]c2ccccc2c1CN(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 1.00
▸ CYP3A4 P08684 2/20 1.00
▸ HTR6 P50406 1/20 0.72
▸ ALDH1A1 P00352 4/20 0.61
▸ HTT P42858 3/20 0.61
▸ TSHR P16473 3/20 0.61
▸ KDM4E B2RXH2 4/20 0.59
▸ POLB P06746 1/20 0.59
▸ GAA P10253 2/20 0.57
▸ CASP1 P29466 1/20 0.57
▸ CASP7 P55210 1/20 0.57
▸ HSD17B10 Q99714 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ AHR P35869 1/20 0.53
▸ KRAS P01116 1/20 0.51
▸ HPGD P15428 2/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ CYP2D6 P10635 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49

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
SCHEMBL5781334 0.84 HTR6 (1.00) MAPTCYP3A4HTR6ALDH1A1HTT
SCHEMBL3963029 0.82 HTR6 (0.84) MAPTCYP3A4HTR6ALDH1A1HTT
SCHEMBL18383120 0.82 MAPT (0.69) MAPTCYP3A4HTR6ALDH1A1HTT
SCHEMBL3233129 0.80 CYP3A4 (0.67) MAPTCYP3A4HTR6ALDH1A1HTT
SCHEMBL11495830 0.80 HTR2A (0.71) MAPTCYP3A4HTR6HPGDHTR2A
SCHEMBL669111 0.80 HTT (0.73) MAPTCYP3A4HTR6ALDH1A1HTT
SCHEMBL11495561 0.80 MAPT (0.66) MAPTCYP3A4HTR6HPGDHTR2A
SCHEMBL11348399 0.79 MAPT (0.65) MAPTCYP3A4HTR6ALDH1A1HTT
SCHEMBL3868019 0.79 MAPT (0.65) MAPTCYP3A4HTR6ALDH1A1HTT
SCHEMBL8689808 0.79 CYP3A4 (0.64) MAPTCYP3A4HTR6HPGDHTR2A

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
CN-101914605-A Synthesis method of N-fluorenylmethyloxycarbonyl-2-methyltryptophan GL BIOCHEM SHANGHAI LTD 2010-12-15 — — CN claimed
US-20170049709-A1 THERAPEUTIC NANOPARTICLES COMPRISING A THERAPEUTIC AGENT AND METHODS OF MAKING AND USING SAME PFIZER INC. 2017-02-23 — — US disclosed
CN-104017838-A Enzymatic conversion preparation method of 2-methyl-L-tryptophan UNIV SUZHOU 2014-09-03 — — CN disclosed
US-20110251230-A1 THERAPEUTICS FOR NEUROLOGICAL DISORDERS UNIVERSITY OF SHEFFIELD (GB) 2011-10-13 — — US disclosed
CN-101914605-A Synthesis method of N-fluorenylmethyloxycarbonyl-2-methyltryptophan GL BIOCHEM SHANGHAI LTD 2010-12-15 — — CN disclosed
US-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-02 — — US disclosed
US-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-02 — — US disclosed
US-20090269772-A1 SYSTEMS AND METHODS FOR IDENTIFYING COMBINATIONS OF COMPOUNDS OF THERAPEUTIC INTEREST THERASIS, INC. 2009-10-29 — — US disclosed
US-20090143279-A1 Methods and compositions for treating metabolic disorders PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-06-04 — — US disclosed
US-20090028796-A1 PESTICIDAL COMPOSITION COMPRISING INDOLE DERIVATES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2009-01-29 — — US disclosed
EP-1978805-A1 PESTICIDAL COMPOSITION COMPRISING INDOLE DERIVATES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-10-15 — — EP disclosed
WO-2007085660-A1 PESTICIDAL COMPOSITION COMPRISING INDOLE DERIVATES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2007-08-02 — — WO disclosed
US-5030640-A Alpha-heterocyclic ethanolamino alkylindoles, growth promoters and feed efficiency agents for animals, bronchodilators, antidepressants, antiobesity agents MERCK & CO., INC. (US) 1991-07-09 — — US disclosed
EP-0377488-A1 Novel beta-adrenergic agonists MERCK & CO. INC. (US) 1990-07-11 — — EP disclosed
US-4495352-A HYPOTENSIVE AGENTS; VASODILATION; ADRENERGIC BLOCKING ACTION MEAD JOHNSON & COMPANY (US) 1985-01-22 — — US disclosed
US-4314943-A ANTIHYPERTENSIVE AGENTS; VASODILATORS MEAD JOHNSON & COMPANY (US) 1982-02-09 — — US disclosed
US-4234595-A HYPOTENSIVE AGENTS; ADRENERGIC BLOCKING AGENTS; VASODILATION MEAD JOHNSON & COMPANY (US) 1980-11-18 — — US disclosed
US-4217357-A Inhibition of thromboxane synthetase with 3-(imidazol-1-ylalkyl)indoles PFIZER INC. (US) 1980-08-12 — — 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 (5 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-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 MAPT 459/4885CYP3A4 4800/4885HTR6 2577/4885
US-20090028796-A1 PESTICIDAL COMPOSITION COMPRISING INDOLE DERIVATES IDO1, IDO2, INMT MAPT 2176/4885CYP3A4 2163/4885HTR6 1010/4885
US-20110251230-A1 THERAPEUTICS FOR NEUROLOGICAL DISORDERS KEAP1, SMN1; SMN2, NFE2L2 MAPT 123/4885CYP3A4 4635/4885HTR6 2493/4885
US-20090143279-A1 Methods and compositions for treating metabolic disorders PC, PCK2, CS MAPT 357/4885CYP3A4 2876/4885HTR6 3199/4885
US-20170049709-A1 THERAPEUTIC NANOPARTICLES COMPRISING A THERAPEUTIC AGENT AND METHODS OF MAKING AND USING SAME CTSA, GAA, EEA1 MAPT 1099/4885CYP3A4 4871/4885HTR6 4150/4885

“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.