SCHEMBL13069799

SCHEMBL13069799

CCCc1ccnc(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
NOS2 P35228 2/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
ALOX5 P09917 1/20 0.39
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
RECQL P46063 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL805466 0.83
SCHEMBL16977554 0.79 TAAR1 (0.50) KDM4ELMNACYP3A4TSHRRECQL
SCHEMBL5361830 0.79 MAPT (0.55) KDM4ELMNATSHRHPGDMAPK1
SCHEMBL12826953 0.78 CCR1 (0.44) CNR1CNR2KDM4ELMNACYP3A4
SCHEMBL487201 0.78 KDM4E (0.56) CNR1CNR2KDM4ELMNACYP3A4
SCHEMBL13028808 0.78 ESR1 (0.47) KDM4ECYP3A4NOS2NOS3NOS1
SCHEMBL5102581 0.78 KDM4E (0.47) CNR1CNR2KDM4ELMNACYP3A4
Hydrochloric Acid SCHEMBL6952555 0.78 DRD2 (0.52) KDM4ELMNACYP3A4TSHRNOS1
Bromide SCHEMBL2025879 0.78 TAAR1 (0.48) KDM4ELMNACYP3A4TSHRNOS1
SCHEMBL6172313 0.77 ALDH1A1 (0.44) CNR1CNR2KDM4ELMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192865-B2 Benzosulfonyl compounds VIVACE THERAPEUTICS, INC. (US) 2021-12-07 US disclosed
US-11124537-B2 Inhibitors of glucocorticoid receptor ORIC PHARMACEUTICALS, INC. (US) 2021-09-21 US disclosed
US-20210017220-A1 INHIBITORS OF GLUCOCORTICOID RECEPTOR ORIC PHARMACEUTICALS, INC. 2021-01-21 US disclosed
US-10836789-B2 Inhibitors of glucocorticoid receptor ORIC PHARMACEUTICALS, INC. (US) 2020-11-17 US disclosed
US-20190307743-A1 OPIOID RECEPTOR ANTAGONIST PRODRUGS NIRSUM LABORATORIES, INC. 2019-10-10 US disclosed
US-10392367-B2 IRE1 small molecule inhibitors QUENTIS THERAPEUTICS, INC. (US) 2019-08-27 US disclosed
WO-2016022955-A1 COMPOUNDS AND METHODS FOR TREATING CANCER MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2016-02-11 WO disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 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 (8 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-11124537-B2 Inhibitors of glucocorticoid receptor NR3C1, NR3C2, MC2R CNR1 161/4885CNR2 289/4885KDM4E 3271/4885
US-10392367-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 CNR1 4554/4885CNR2 4665/4885KDM4E 1677/4885
US-11192865-B2 Benzosulfonyl compounds YAP1, TEAD2, TEAD1 CNR1 4091/4885CNR2 4293/4885KDM4E 312/4885
US-20190307743-A1 OPIOID RECEPTOR ANTAGONIST PRODRUGS OPRM1, OPRK1, OPRL1 CNR1 16/4885CNR2 21/4885KDM4E 931/4885
US-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA CNR1 1231/4885CNR2 214/4885KDM4E 3844/4885
US-10836789-B2 Inhibitors of glucocorticoid receptor NR3C1, NR3C2, MC2R CNR1 156/4885CNR2 286/4885KDM4E 3331/4885
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 CNR1 79/4885CNR2 128/4885KDM4E 3762/4885
US-20210017220-A1 INHIBITORS OF GLUCOCORTICOID RECEPTOR NR3C1, NR3C2, MC2R CNR1 161/4885CNR2 289/4885KDM4E 3271/4885

“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.