SCHEMBL15724409

SCHEMBL15724409

CC(C)c1c[nH]c2ccc(N)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.45
HTR2C P28335 4/20 0.45
HTR2B P41595 3/20 0.45
HTR1D P28221 3/20 0.44
HTR1B P28222 2/20 0.44
CYP2C19 P33261 2/20 0.43
HPGD P15428 1/20 0.43
GSK3B P49841 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41

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
SCHEMBL5488035 0.85 IMPDH2 (0.46) HTR2AHTR2CHTR2BHTR1DFFAR1
SCHEMBL396507 0.85 IMPDH2 (0.46) HTR2AHTR2CHTR2BHTR1DFFAR1
SCHEMBL11096774 0.83 HTR2A (0.67) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL7871237 0.83 HTR2A (0.41) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL12244348 0.79 TP53 (0.50) HTR2AHTR2CHTR2BHTR1DFFAR1
SCHEMBL15912345 0.79 HTR1D (0.57) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL5851341 0.78 GPR84 (0.62) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL27648954 0.78 HTR2A (0.41) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL12244358 0.78 HTR2A (0.55) HTR2ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29414816 0.78 HTR2C (0.55) HTR2AHTR2CHTR2BHTR1DHTR1B

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-20230212144-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT TRINEURO (KR) 2023-07-06 US disclosed
US-20230212144-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT TRINEURO (KR) 2023-07-06 US 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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 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 (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-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-20230212144-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT HTR5A, HTR2C, TPH1 HTR2A 12/4885HTR2C 2/4885HTR2B 20/4885
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.