SCHEMBL2740581

SCHEMBL2740581

CN1CCN(CC(F)(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
NR1H2 P55055 1/20 0.36
MC4R P32245 1/20 0.35
CHKA P35790 2/20 0.35
PAOX Q6QHF9 1/20 0.33
DRD2 P14416 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
TSHR P16473 1/20 0.31
PHGDH O43175 1/20 0.31

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
SCHEMBL2606082 0.91 KDM4E (0.46) ALDH1A1KDM4EPOLBCHKASIGMAR1
SCHEMBL25235628 0.86 KDM1A (0.34) HTTDRD2LMNAKMT2A
Hydrochloric Acid SCHEMBL25234812 0.83 KDM1A (0.33) DRD2
SCHEMBL27348989 0.82 ALDH1A1 (0.33) HTTALDH1A1KDM4E
SCHEMBL15765844 0.82 HTT (0.39) HTTALDH1A1KDM4EPOLBNR1H2
SCHEMBL17623735 0.82 HTT (0.39) HTTALDH1A1KDM4EPOLBNR1H2
SCHEMBL14281269 0.80 HTT (0.38) HTTALDH1A1KDM4EPOLBNR1H2
SCHEMBL13713266 0.80 GNAI3 (0.47)
SCHEMBL25821326 0.80 HIF1A (0.37) USP2TSHR
SCHEMBL13713265 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EDRD2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031863-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF BIOFOCUS DPI LIMITED (GB) 2016-02-04 US claimed
WO-2014159214-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-10-02 WO claimed
EP-3181567-B9 PYRAZOLOPYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2025-09-24 EP disclosed
EP-4400497-A1 3CLPRO PROTEASE INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-07-17 EP disclosed
WO-2024134657-A1 PYRROLOPYRIDINE AND PYRROLOPYRIDAZINE BASED COMPOUNDS AND USE THEREOF AS PKR INHIBITORS PROTEKT THERAPEUTICS LTD. (IL) 2024-06-27 WO disclosed
US-20240174676-A1 Pyrazolopyrimidine compounds as kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2024-05-30 US disclosed
WO-2024081345-A1 BENZOPYRIMIDIN-4(3H)-ONES AS PI3K INHIBITORS ONKURE, INC. (US) 2024-04-18 WO disclosed
WO-2024054469-A1 ISOQUINOLONES AS PI3K INHIBITORS ONKURE, INC. (US) 2024-03-14 WO disclosed
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
WO-2023239710-A1 BENZOPYRIMIDIN-4(3H)-ONES AS PI3K INHIBITORS ONKURE, INC. (US) 2023-12-14 WO disclosed
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-07-29 US disclosed
US-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-07-29 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
WO-2009115685-A1 NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF. SANOFI-AVENTIS (FR) 2009-09-24 WO disclosed
WO-2009053716-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
WO-2008152387-A1 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO disclosed
WO-2008152014-A2 3-HETROCYCLYLIDENE-INDOLINONE DERIVATIVES AS INHIBITORS OF SPECIFIC CELL CYCLE KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-18 WO disclosed
WO-2008152390-A1 THIAZOLIOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 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 (7 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-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE PDPK1, PIK3CA, PI4KA HTT 2998/4885ALDH1A1 1436/4885KDM4E 2894/4885
US-11912708-B2 Macrocyclic heterocycles and uses thereof HRAS, KRAS, TP53 HTT 476/4885ALDH1A1 4341/4885KDM4E 3481/4885
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 HTT 4310/4885ALDH1A1 2102/4885KDM4E 2852/4885
US-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 HTT 2897/4885ALDH1A1 450/4885KDM4E 2464/4885
US-20160031863-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HTT 2619/4885ALDH1A1 559/4885KDM4E 166/4885
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF HRAS, KRAS, TP53 HTT 476/4885ALDH1A1 4341/4885KDM4E 3481/4885
US-20240174676-A1 Pyrazolopyrimidine compounds as kinase Inhibitors BTK, LCK, LYN HTT 2358/4885ALDH1A1 3636/4885KDM4E 1198/4885

“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.