SCHEMBL104748

SCHEMBL104748

CC(C)NCc1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
ALDH1A1 P00352 4/20 0.54
NPSR1 Q6W5P4 1/20 0.54
LTA4H P09960 1/20 0.53
PKM P14618 2/20 0.51
CHRM2 P08172 1/20 0.51
KDM4E B2RXH2 1/20 0.51
KMT2A Q03164 1/20 0.51
HTT P42858 2/20 0.50
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HSD17B10 Q99714 1/20 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
SCHEMBL4051277 0.85 CYP1A2 (0.58) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H
SCHEMBL14019404 0.85 CYP1A2 (0.58) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H
SCHEMBL8009779 0.85 CYP1A2 (0.58) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H
SCHEMBL6645277 0.84 CYP1A2 (0.56) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H
SCHEMBL171029 0.84 CYP1A2 (0.56) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H
SCHEMBL13995928 0.82 CYP1A2 (0.55) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H
SCHEMBL30729674 0.82 CYP1A2 (0.55) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H
SCHEMBL10864606 0.82 CYP1A2 (0.55) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H
SCHEMBL8010098 0.82 CYP1A2 (0.55) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H
SCHEMBL13995941 0.82 CYP1A2 (0.55) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216414-A1 Antiviral Agents and Nucleoside Analogs for Treatment of Zika Virus UNIV EMORY (US) 2024-07-04 US disclosed
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 US disclosed
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2024-01-18 US disclosed
US-11858945-B2 Alkyne-containing antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 US disclosed
EP-4268824-A1 IMIDAZO[2,1-F][1,2,4]TRIAZINE DERIVATIVES USEFUL AS A MEDICAMENT Manros Therapeutics (FR) 2023-11-01 EP disclosed
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors STORM THERAPEUTICS LIMITED (GB) 2023-08-15 US disclosed
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 US disclosed
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 US disclosed
WO-2023107603-A1 PYRIMIDINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 US disclosed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 US disclosed
US-20060058320-A1 [1,2,4] Triazolo[1,5-c]pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-03-16 US disclosed
EP-1544200-A1 1,2,4 -TRIAZOLO 1,5-c PYRIMIDINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-06-22 EP disclosed
EP-1324985-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2004-10-06 EP disclosed
EP-1324985-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2003-07-09 EP disclosed
WO-2002028831-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-04-11 WO disclosed
EP-0433662-A2 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-26 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 (9 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-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 CYP1A2 1232/4885CYP2D6 1138/4885ALDH1A1 2638/4885
US-20060058320-A1 [1,2,4] Triazolo[1,5-c]pyrimidine derivatives ADORA2A, ADORA1, ADORA3 CYP1A2 468/4885CYP2D6 567/4885ALDH1A1 360/4885
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS DRD4, DRD2, SLC6A3 CYP1A2 262/4885CYP2D6 158/4885ALDH1A1 961/4885
US-11912714-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 CYP1A2 1377/4885CYP2D6 344/4885ALDH1A1 319/4885
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors METTL3, DIMT1, TPMT CYP1A2 2064/4885CYP2D6 1897/4885ALDH1A1 2056/4885
US-11858945-B2 Alkyne-containing antiviral agents ACE, SARS1, ACE2 CYP1A2 2959/4885CYP2D6 1303/4885ALDH1A1 876/4885
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof FUT6, DDOST, MGAM CYP1A2 3640/4885CYP2D6 297/4885ALDH1A1 4673/4885
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF BTK, SYK, LCK CYP1A2 2946/4885CYP2D6 555/4885ALDH1A1 4580/4885
US-20240216414-A1 Antiviral Agents and Nucleoside Analogs for Treatment of Zika Virus SAMHD1, PNP, NUDT1 CYP1A2 1940/4885CYP2D6 1335/4885ALDH1A1 1005/4885

“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.