SCHEMBL3653243

SCHEMBL3653243

C=C(C)CNCc1ccc(OC)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.73
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
TSHR P16473 2/20 0.47
DPP7 Q9UHL4 1/20 0.46
POLB P06746 1/20 0.45
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL1197973 0.88 APLNR (0.69) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL14037793 0.88 APLNR (0.69) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL16139729 0.87 APLNR (0.67) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL20268748 0.87 APLNR (0.67) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL23895307 0.86 APLNR (0.71) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL24817719 0.85 APLNR (0.65) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL24279131 0.85 APLNR (0.65) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL28318209 0.85 APLNR (0.80) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL783785 0.85 APLNR (1.00) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL1269158 0.83 APLNR (0.71) APLNRHTR2AHTR2CMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof CADENT THERAPEUTICS, INC. (US) 2022-02-01 US disclosed
US-20210107916-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2021-04-15 US disclosed
US-20100093811-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-04-15 US disclosed
US-20100093811-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-04-15 US disclosed
US-20100093811-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-04-15 US disclosed
WO-2009042094-A2 HIV PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-04-02 WO disclosed
WO-2009042093-A1 HIV PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-04-02 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 (3 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-20100093811-A1 HIV PROTEASE INHIBITORS PRSS1, FURIN, SERPINB1 APLNR 3694/4885HTR2A 4077/4885HTR2C 4646/4885
US-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof GRIN2C, GRIN2A, GRIN1 APLNR 272/4885HTR2A 50/4885HTR2C 43/4885
US-20210107916-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2C, GRIN2A, GRIN1 APLNR 272/4885HTR2A 50/4885HTR2C 43/4885

“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.