SCHEMBL14764640

SCHEMBL14764640

CCCCCn1ncn(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)cc2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
HTR1A P08908 6/20 0.50
DRD2 P14416 4/20 0.50
ADRA1A P35348 4/20 0.50
ADRA1B P35368 4/20 0.50
ADRA2A P08913 3/20 0.50
ADRA2C P18825 3/20 0.50
DRD4 P21917 3/20 0.50
HRH2 P25021 3/20 0.50
HTR2A P28223 3/20 0.50
HTR7 P34969 3/20 0.50
HRH1 P35367 3/20 0.50
SIGMAR1 Q99720 3/20 0.50
HTR1B P28222 1/20 0.50
HTR2B P41595 1/20 0.50
HSD17B3 P37058 1/20 0.47
ADRA1D P25100 3/20 0.46
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL15912649 0.99 MAPT (0.59) MAPTHTR1ADRD2ADRA1AADRA1B
SCHEMBL15912699 0.96 MAPT (0.61) MAPTHTR1ADRD2ADRA1AADRA1B
SCHEMBL11069441 0.92 MAPT (0.64) MAPTHTR1ADRD2ADRA1AADRA1B
SCHEMBL11074635 0.87 MAPT (0.67) MAPTDRD2SIGMAR1HSD17B3HSD17B10
SCHEMBL9666033 0.86 MAPT (0.59) MAPTHTR1ADRD2ADRA1AADRA1B
SCHEMBL13499379 0.86 MAPT (0.60) MAPTHTR1ADRD2ADRA1AADRA1B
SCHEMBL14764511 0.85 MAPT (0.52) MAPTHTR1ADRD2ADRA1AADRA1B
SCHEMBL15912657 0.85 MAPT (0.58) MAPTHTR1ADRD2ADRA1AADRA1B
SCHEMBL14764296 0.84 MAPT (0.64) MAPTHTR1ADRD2ADRA1AADRA1B
SCHEMBL6940926 0.83 HTR1A (0.45) MAPTHTR1ADRD2ADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545666-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2026-02-10 US disclosed
US-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2022-11-17 US disclosed
US-11028078-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-08 US disclosed
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-02-07 US disclosed
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF UNIV JOHNS HOPKINS (US) 2016-09-15 US disclosed
US-9346791-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-24 US disclosed
US-20140221393-A1 Itraconazole Analogs and Use Thereof THE JOHNS HOPKINS UNIVERSITY 2014-08-07 US disclosed
WO-2013036866-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2013-03-14 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 (6 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-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885HTR1A 2143/4885DRD2 3870/4885
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885HTR1A 2143/4885DRD2 3870/4885
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885HTR1A 2143/4885DRD2 3870/4885
US-12545666-B2 Itraconazole analogs and use thereof SHH, SMO, GLI1 MAPT 2130/4885HTR1A 3216/4885DRD2 3277/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR MAPT 3556/4885HTR1A 2143/4885DRD2 3870/4885
US-20140221393-A1 Itraconazole Analogs and Use Thereof SHH, GLI1, KDR MAPT 3556/4885HTR1A 2143/4885DRD2 3870/4885

“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.