SCHEMBL3337028

SCHEMBL3337028

Brc1ccc(OCCN2CCOCC2)nc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
POLB P06746 1/20 0.50
KDM4E B2RXH2 3/20 0.49
SIGMAR1 Q99720 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
LTA4H P09960 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL2323674 0.86 LTA4H (0.59) TSHRLTA4H
SCHEMBL17442409 0.85 LTA4H (0.58) TSHRPOLBKDM4ESMN1; SMN2LTA4H
SCHEMBL228313 0.85 LTA4H (0.58) TSHRPOLBKDM4ESMN1; SMN2LTA4H
SCHEMBL31436855 0.84 HTR1B (0.53) MAPTPOLBKDM4ESIGMAR1LTA4H
SCHEMBL31210089 0.82 LTA4H (0.46) ALDH1A1MAPTKDM4ESIGMAR1LTA4H
SCHEMBL29036808 0.82 ATM (0.51) TSHRALDH1A1POLBKDM4ESIGMAR1
SCHEMBL55617 0.82 SIGMAR1 (0.48) TSHRALDH1A1POLBKDM4ESIGMAR1
SCHEMBL29769807 0.82 SIGMAR1 (0.48) TSHRALDH1A1POLBKDM4ESIGMAR1
SCHEMBL15520988 0.82 SIGMAR1 (0.48) TSHRALDH1A1POLBKDM4ESIGMAR1
SCHEMBL26690765 0.82 LTA4H (0.46) ALDH1A1MAPTKDM4ESIGMAR1LTA4H

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210290631-A1 PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2021-09-23 US disclosed
US-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 US disclosed
US-20090275577-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS PFIZER INC 2009-11-05 US disclosed
US-20090275577-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS PFIZER INC 2009-11-05 US disclosed
US-7563788-B2 Substituted Imidazo[1,2-a]pyridines as Antibacterial Agents PFIZER INC. (US) 2009-07-21 US disclosed
US-7563788-B2 Substituted Imidazo[1,2-a]pyridines as Antibacterial Agents PFIZER INC. (US) 2009-07-21 US disclosed
US-20070191394-A1 Antibacterial agents WARNER-LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20070191394-A1 Antibacterial agents WARNER-LAMBERT COMPANY LLC 2007-08-16 US disclosed
EP-0966464-B1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-05-28 EP disclosed
US-6114330-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US disclosed
EP-0966464-A1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1999-12-29 EP disclosed
WO-1998039328-A1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES F.HOFFMANN-LA ROCHE AG (CH) 1998-09-11 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 (4 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-20210290631-A1 PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PDCD11, RRM2, RRM2B TSHR 1009/4885ALDH1A1 2294/4885MAPT 1804/4885
US-20070191394-A1 Antibacterial agents MRPL21, RPN2, FBL TSHR 4486/4885ALDH1A1 637/4885MAPT 4424/4885
US-20090275577-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS DPYD, TYMP, ITPA TSHR 3932/4885ALDH1A1 272/4885MAPT 4632/4885
US-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CYP51A1, ERG28, CYP3A7 TSHR 3394/4885ALDH1A1 1486/4885MAPT 222/4885

“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.