SCHEMBL18239084

SCHEMBL18239084

CC(C)c1nccc2occc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ FADS1 O60427 1/20 0.36
▸ DRD1 P21728 6/20 0.36
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ FTO Q9C0B1 1/20 0.35
▸ HTR2A P28223 5/20 0.35
▸ CNR2 P34972 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
SCHEMBL8272979 0.85 HTR2C (0.38) HTR2CTRPA1FADS1DRD1MAOA
SCHEMBL18238715 0.73 BRD4 (0.32) —
SCHEMBL18238843 0.73 HTR2A (0.33) HTR2CDRD1HTR2A
SCHEMBL2757287 0.72 HTR2C (0.47) HTR2CTRPA1FADS1DRD1HTR2A
SCHEMBL12125649 0.72 ALDH1A1 (0.39) HTR2CTRPA1FADS1DRD1HTR2A
SCHEMBL22490021 0.72 HTR2A (0.37) HTR2CHTR2A
SCHEMBL12395097 0.71 DRD1 (0.37) DRD1
SCHEMBL18238842 0.71 HTR2A (0.36) HTR2CHTR2A
SCHEMBL26812991 0.71 EGFR (0.38) MAOA
SCHEMBL8272976 0.69 MAOA (0.39) TRPA1MAOAMAOB

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780837-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2023-10-10 — — US disclosed
US-11780837-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2023-10-10 — — US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 — — US disclosed
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO INC (US) 2023-01-05 — — US disclosed
US-11306088-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2022-04-19 — — US disclosed
US-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-18 — — US disclosed
US-20210047320-A1 CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2021-02-18 — — US disclosed
US-10759796-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2020-09-01 — — US disclosed
WO-2020163193-A1 BICYCLIC ETHER O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2020-08-13 — — WO disclosed
US-20200123150-A1 CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2020-04-23 — — US disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 — — US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 — — US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 — — US disclosed
US-20180009792-A1 CHROMENONE INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS THE SCRIPPS RESEARCH INSTITUTE (US) 2018-01-11 — — US disclosed
US-20180008605-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2018-01-11 — — US disclosed
US-20180002343-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-01-04 — — US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 — — US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 — — US disclosed
US-20170190715-A1 PYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2017-07-06 — — US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 — — 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 (14 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-10759796-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 HTR2C 2383/4885TRPA1 1368/4885FADS1 4313/4885
US-20210047320-A1 CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCL12, CXCR3 HTR2C 2383/4885TRPA1 1368/4885FADS1 4313/4885
US-20180002343-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A1, SLC16A3, SLC16A7 HTR2C 2126/4885TRPA1 1382/4885FADS1 1615/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP HTR2C 542/4885TRPA1 1859/4885FADS1 58/4885
US-20180009792-A1 CHROMENONE INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A3, SLC16A1, SLC16A7 HTR2C 1677/4885TRPA1 765/4885FADS1 1594/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT HTR2C 4047/4885TRPA1 4597/4885FADS1 4599/4885
US-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof PHGDH, PGD, PGK1 HTR2C 4284/4885TRPA1 3329/4885FADS1 354/4885
US-20180008605-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS SLC16A1, SLC16A3, SLC16A7 HTR2C 3042/4885TRPA1 1279/4885FADS1 1649/4885
US-11780837-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 HTR2C 2383/4885TRPA1 1368/4885FADS1 4313/4885
US-20200123150-A1 CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCL12, CXCR3 HTR2C 2383/4885TRPA1 1368/4885FADS1 4313/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 HTR2C 4178/4885TRPA1 3251/4885FADS1 388/4885
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT HTR2C 4047/4885TRPA1 4597/4885FADS1 4599/4885
US-11306088-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 HTR2C 2383/4885TRPA1 1368/4885FADS1 4313/4885
US-20170190715-A1 PYRIDINE DERIVATIVE LAP3, PREP, DNPEP HTR2C 1434/4885TRPA1 1244/4885FADS1 1804/4885

“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.

Send feedback