SCHEMBL16635566

SCHEMBL16635566

CC(C)CC(N)C(F)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
TAAR1 Q96RJ0 3/20 0.36
SLC6A2 P23975 2/20 0.36
MAOA P21397 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ANPEP P15144 1/20 0.36
LAP3 P28838 1/20 0.36
TACR1 P25103 2/20 0.36

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
SCHEMBL5872364 1.00 HTR2A (0.40) HTR2AHTR2CHTR2BALDH1A1TSHR
SCHEMBL635649 0.78 CYP2D6 (0.40) KDM4ELMNAMAPK1TAAR1SLC6A2
SCHEMBL1167957 0.77 ALDH1A1 (0.46) HTR2AHTR2CHTR2BALDH1A1TSHR
SCHEMBL1131722 0.77 KDM4E (0.58) ALDH1A1KDM4ELMNAMAPK1TAAR1
SCHEMBL4918492 0.77 KDM4E (0.58) ALDH1A1KDM4ELMNAMAPK1TAAR1
SCHEMBL1131718 0.77 KDM4E (0.58) ALDH1A1KDM4ELMNAMAPK1TAAR1
Hydrochloric Acid SCHEMBL8841082 0.76 KDM4E (0.56) ALDH1A1KDM4ELMNAMAPK1ANPEP
Hydrochloric Acid SCHEMBL8841083 0.76 KDM4E (0.56) ALDH1A1KDM4ELMNAMAPK1ANPEP
SCHEMBL7158095 0.74 CYP2D6 (0.37) KDM4ELMNAMAPK1TAAR1SLC6A2
SCHEMBL4521336 0.73 CYP2D6 (0.53) KDM4ELMNAMAPK1TAAR1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11970512-B2 Amphotericin B derivatives with improved therapeutic index THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2024-04-30 US disclosed
CN-110407898-B Amphotericin B derivatives with improved therapeutic index 伊利诺伊大学评议会 2023-12-01 CN disclosed
US-20220056066-A1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2022-02-24 US disclosed
US-11117920-B2 Amphotericin B derivatives with improved therapeutic index THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-09-14 US disclosed
US-11028114-B2 Amphotericin B derivatives with improved therapeutic index THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-06-08 US disclosed
US-20190345187-A1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2019-11-14 US disclosed
US-10323057-B2 Amphotericin B derivatives with improved therapeutic index THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-06-18 US disclosed
US-20180273571-A1 CONCISE SYNTHESIS OF UREA DERIVATIVES OF AMPHOTERICIN B THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2018-09-27 US disclosed
EP-3055030-B1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX UNIV ILLINOIS (US) 2018-05-02 EP disclosed
EP-3242554-A1 CONCISE SYNTHESIS OF UREA DERIVATIVES OF AMPHOTERICIN B The Board of Trustees of the University of Illionis (US) 2017-11-15 EP disclosed
EP-3055030-A1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX The Board of Trustees of the University of Illinois (US) 2016-08-17 EP disclosed
US-20160215012-A1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (IL) 2016-07-28 US disclosed
WO-2016112260-A1 CONCISE SYNTHESIS OF UREA DERIVATIVES OF AMPHOTERICIN B THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-07-14 WO disclosed
WO-2015054148-A1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-16 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 (8 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-20220056066-A1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX C9, AMPD3, C5 HTR2A 3415/4885HTR2C 3736/4885HTR2B 2218/4885
US-20160215012-A1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX C9, AMPD3, C5 HTR2A 3415/4885HTR2C 3736/4885HTR2B 2218/4885
US-20180273571-A1 CONCISE SYNTHESIS OF UREA DERIVATIVES OF AMPHOTERICIN B NAT10, CPS1, ERG28 HTR2A 4454/4885HTR2C 4603/4885HTR2B 3211/4885
US-20190345187-A1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX C9, AMPD3, C5 HTR2A 3415/4885HTR2C 3736/4885HTR2B 2218/4885
US-10323057-B2 Amphotericin B derivatives with improved therapeutic index C9, AMPD3, C5 HTR2A 3415/4885HTR2C 3736/4885HTR2B 2218/4885
US-11028114-B2 Amphotericin B derivatives with improved therapeutic index C9, AMPD3, C5 HTR2A 3415/4885HTR2C 3736/4885HTR2B 2218/4885
US-11117920-B2 Amphotericin B derivatives with improved therapeutic index C9, AMPD3, C5 HTR2A 3415/4885HTR2C 3736/4885HTR2B 2218/4885
US-11970512-B2 Amphotericin B derivatives with improved therapeutic index C9, AMPD3, C5 HTR2A 3415/4885HTR2C 3736/4885HTR2B 2218/4885

“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.