SCHEMBL517896

SCHEMBL517896

CN1CCNc2ncccc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 1/20 0.38
HTR7 P34969 1/20 0.38
PLD1 Q13393 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALOX5 P09917 1/20 0.36
ADRB1 P08588 1/20 0.34

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
SCHEMBL12396466 0.81 HTR2A (0.38) HTR2AHTR2CSLC6A4HTR1ASLC6A2
SCHEMBL25094286 0.77 HTR2A (0.36) HTR2AHTR2CSLC6A4HTR1ASLC6A2
SCHEMBL24635835 0.77 HTR2A (0.36) HTR2AHTR2CSLC6A4HTR1ASLC6A2
SCHEMBL24342186 0.76 GAA (0.47) EPHX2
SCHEMBL24117656 0.76 ALOX5 (0.45) RAB9APLD1ALDH1A1ALOX5
SCHEMBL22367362 0.76 PARP1 (0.37) HTR2AHTR2CSLC6A4MEN1KMT2A
SCHEMBL22049123 0.74 MEN1 (0.35) MEN1RAB9AGFERKMT2A
SCHEMBL22313620 0.73 MEN1 (0.31) MEN1RAB9AGFERKMT2AALDH1A1
SCHEMBL5847666 0.73 ALOX5 (0.39) HTR2AHTR2CHTR1AMEN1RAB9A
SCHEMBL25386071 0.73 CYP11B1 (0.41) GFERALDH1A1KDM4EALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
WO-2023205701-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-10-26 WO disclosed
WO-2020160174-A1 USES OF COMPOUNDS HAVING ANTI-HSV-1 ACTIVITY UNIVERSITA DEGLI STUDI DI PADOVA (IT) 2020-08-06 WO disclosed
WO-2020160175-A1 QUINDOLINE COMPOUNDS AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-08-06 WO disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US 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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY HTR2A 4807/4885HTR2C 4523/4885SLC6A4 4045/4885
US-11912708-B2 Macrocyclic heterocycles and uses thereof HRAS, KRAS, TP53 HTR2A 4338/4885HTR2C 2298/4885SLC6A4 4146/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY HTR2A 4807/4885HTR2C 4523/4885SLC6A4 4045/4885
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND F2, PF4, F11 HTR2A 3057/4885HTR2C 3065/4885SLC6A4 4603/4885

“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.