SCHEMBL3219741

SCHEMBL3219741

COc1ccc2[nH]cc(C)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.51
HTR1B P28222 2/20 0.51
HTR1F P30939 2/20 0.51
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
DYRK1A Q13627 7/20 0.39
RAF1 P04049 5/20 0.39
CYP1A2 P05177 2/20 0.39
KMT2A Q03164 2/20 0.39
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
NNMT P40261 1/20 0.35
ATM Q13315 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
SCHEMBL16593217 0.81 HTR1D (0.51) HTR1DHTR1BHTR1FMTNR1AMTNR1B
SCHEMBL2322257 0.80 HTR1D (0.50) HTR1DHTR1BHTR1FMTNR1AMTNR1B
SCHEMBL19284523 0.80 HTR1D (0.50) HTR1DHTR1BHTR1FMTNR1AMTNR1B
SCHEMBL24208338 0.80 HTR1D (0.50) HTR1DHTR1BHTR1FMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL23166146 0.79 HTR1D (0.49) HTR1DHTR1BHTR1FMTNR1AMTNR1B
SCHEMBL19709247 0.77 MTNR1A (0.63) HTR1DHTR1BHTR1FMTNR1AMTNR1B
SCHEMBL18853757 0.77 HTR1D (0.48) HTR1DHTR1BHTR1FMTNR1AMTNR1B
SCHEMBL16154699 0.77 HTR1D (0.48) HTR1DHTR1BHTR1FMTNR1AMTNR1B
SCHEMBL7928100 0.76 CCR1 (0.46) HTR1DHTR1BHTR1FCYP1A2KMT2A
SCHEMBL3035666 0.76 ALDH1A1 (0.49) HTR1DHTR1BHTR1FMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219953-A1 SULFONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-07-13 US disclosed
EP-2961742-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2018-08-01 EP disclosed
WO-2018011628-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2018-01-18 WO disclosed
US-9789089-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2017-10-17 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
EP-2943487-B1 5-MEMBERED HETEROARYLS AND THEIR USE AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2016-11-16 EP disclosed
US-20160083368-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-24 US disclosed
US-20160067224-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-10 US disclosed
US-9220710-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-12-29 US disclosed
US-20140221421-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-08-07 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 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-20230219953-A1 SULFONE DERIVATIVES SULT1E1, SULT1A1, SULT2A1 HTR1D 919/4885HTR1B 680/4885HTR1F 1099/4885
US-20160083368-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD HTR1D 4652/4885HTR1B 4047/4885HTR1F 4104/4885
US-20160067224-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD HTR1D 4652/4885HTR1B 4047/4885HTR1F 4104/4885
US-20140221421-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD HTR1D 4652/4885HTR1B 4047/4885HTR1F 4104/4885
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 HTR1D 37/4885HTR1B 186/4885HTR1F 194/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HTR1D 4753/4885HTR1B 4456/4885HTR1F 4589/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HTR1D 4753/4885HTR1B 4456/4885HTR1F 4589/4885

“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.