SCHEMBL4890253

SCHEMBL4890253

[C-]#[N+]Cc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ACHE P22303 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
AGXT P21549 2/20 0.41
MAPT P10636 2/20 0.35
CHRM2 P08172 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL855864 0.79 TP53 (0.43) IDO1CYP1A2CYP2A6TAAR1TDP1
SCHEMBL30028871 0.78 HRH3 (0.41) IDO1TAAR1AGXTHRH3LMNA
SCHEMBL5672968 0.76 IDO1 (0.48) IDO1TAAR1AGXTCHRM2LMNA
SCHEMBL29954468 0.74 IDH1 (0.35) ALDH1A1
SCHEMBL12374395 0.74 ALDH1A1 (0.50) TDP1MAPTTP53ALDH1A1MEN1
SCHEMBL12629117 0.74 PGK1 (0.38)
SCHEMBL3890376 0.74 TAAR1 (0.42) IDO1CYP2A6TAAR1ALDH1A1KDM4E
SCHEMBL11740256 0.74 ESR1 (0.50) IDO1TAAR1TDP1MAPTALDH1A1
SCHEMBL1104002 0.73 IDO1 (0.52) IDO1CYP1A2TAAR1AGXTMAPT
SCHEMBL4403988 0.73 TSHR (0.42) ACHETP53CA1CA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-111699174-A Spiro compound used as indoleamine-2, 3-dioxygenase inhibitor 中国科学院上海有机化学研究所 2020-09-22 CN disclosed
CN-104271565-B Amide pyridine derivatives and use thereof 田边三菱制药株式会社 2016-09-28 CN disclosed
CN-104271565-A Amide pyridine derivatives and use thereof MITSUBISHI TANABE PHARMA CORP 2015-01-07 CN disclosed
US-8927536-B2 Tetrahydrothiazepine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-8759387-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-06-24 US disclosed
US-8703721-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-04-22 US disclosed
US-20140080808-A1 TETRAHYDROTHIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-20 US disclosed
US-20140080770-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-03-20 US disclosed
US-8492111-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-07-23 US disclosed
US-5606037-A Processes antineoplastic heteronaphthoquinones BIOCHEM PHARMA INC. (CA) 1997-02-25 US disclosed
EP-0480204-B1 Imidazole derivatives, potent and selective antagonists of angiotensin II receptor FUJISAWA PHARMACEUTICAL CO (JP) 1996-03-20 EP disclosed
US-5215994-A Treating or preventing hypertension or heart failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-01 US disclosed
US-5210092-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
EP-0480204-A1 Imidazole derivatives, potent and selective antagonists of angiotensin II receptor FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
WO-1991007380-A1 ARTHROPODICIDES DUNLENA PTY. LTD. (AU) 1991-05-30 WO disclosed
US-4857647-A 4-amino-5-chloro-2-methoxy-n-(6-(1-azabicyclo[3,2,1]octyl)benzamide BEECHAM GROUP P.L.C. (GB) 1989-08-15 US disclosed
US-4697019-A Azabicyclo compounds, useful as intermediates BEECHAM GROUP P.L.C. (GB) 1987-09-29 US disclosed
US-4612319-A Bridged quinolizidinylbenzamides, compositions containing them and methods for their use BEECHAM GROUP P.L.C. (GB) 1986-09-16 US disclosed
EP-0094742-A2 Substituted azabicyclo compounds, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1983-11-23 EP 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-20140080770-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME NAT1, INMT, ARSA IDO1 113/4885CYP1A2 28/4885CYP2A6 38/4885
US-20140080808-A1 TETRAHYDROTHIAZEPINE DERIVATIVE HSD11B1, HSD11B2, HSD3B1 IDO1 1196/4885CYP1A2 65/4885CYP2A6 175/4885

“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.