SCHEMBL15723650

SCHEMBL15723650

CC(C)n1nc2c(c1C(F)(F)F)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.41
HTR2C P28335 9/20 0.41
HTR2B P41595 9/20 0.41
POLQ O75417 3/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.36
HTR7 P34969 1/20 0.35
POLB P06746 2/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL15723684 0.78 HTR2A (0.35) HTR2AHTR2CHTR2B
SCHEMBL15730089 0.77 POLB (0.47) POLQLMNAMAPK1KDM4EPOLB
SCHEMBL15723681 0.76 HTR2A (0.35) HTR2AHTR2CHTR2B
SCHEMBL15723718 0.75 HTR2A (0.35) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL15723678 0.75 HTR2A (0.40) HTR2AHTR2CHTR2BHTR7
SCHEMBL18055554 0.74 HTR2A (0.39) HTR2AHTR2CHTR2BPOLQHTR7
SCHEMBL17045567 0.73 ACHE (0.36) HTR2AHTR2CHTR2BMAPK1KDM4E
SCHEMBL19844860 0.73 HTR2A (0.36) HTR2AHTR2CHTR2BHTR7POLB
SCHEMBL19481582 0.71 HTR2A (0.35) HTR2AHTR2CHTR2BHTR7POLB
SCHEMBL19481467 0.71 POLB (0.40) HTR2AHTR2CHTR2BPOLQKDM4E

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
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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 (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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN HTR2A 4866/4885HTR2C 4731/4885HTR2B 4845/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN HTR2A 4866/4885HTR2C 4731/4885HTR2B 4845/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN HTR2A 4866/4885HTR2C 4731/4885HTR2B 4845/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HTR2A 4866/4885HTR2C 4731/4885HTR2B 4845/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HTR2A 4866/4885HTR2C 4731/4885HTR2B 4845/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HTR2A 4866/4885HTR2C 4731/4885HTR2B 4845/4885

“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.