SCHEMBL12624018

SCHEMBL12624018

O=C1CN(Cc2ccccc2)C2(CCNCC2)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ CYP2D6 P10635 2/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ DDB1 Q16531 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ HTR2C P28335 3/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2B P41595 1/20 0.37
▸ OPRM1 P35372 1/20 0.36

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
SCHEMBL12624039 0.83 MC4R (0.44) KMT2AMEN1ALDH1A1EPHX2DDB1
SCHEMBL12624010 0.78 OPRL1 (0.48) ALDH1A1SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL12624028 0.77 SLC6A9 (0.47) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL17608923 0.75 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1CYP2C9TSHR
SCHEMBL20989974 0.75 OPRM1 (0.36) KMT2AMEN1ALDH1A1CYP2C9TSHR
SCHEMBL12626443 0.74 KDM1A (0.48) ALDH1A1TSHRCYP2C19CYP2D6
SCHEMBL4315750 0.74 HSD17B10 (0.55) ALDH1A1TSHRCYP2C19HIF1ACYP2D6
SCHEMBL13543071 0.73 HSD17B10 (0.58) KMT2AMEN1ALDH1A1CYP2C9TSHR
SCHEMBL12627091 0.73 OPRD1 (0.55) TSHROPRD1OPRK1
SCHEMBL12621911 0.72 CYP2D6 (0.43) KMT2AMEN1ALDH1A1CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661580-B2 Method of inhibiting tau phosphorylation CASSAVA SCIENCES, INC. (US) 2023-05-30 — — US disclosed
US-11661580-B2 Method of inhibiting tau phosphorylation CASSAVA SCIENCES, INC. (US) 2023-05-30 — — US disclosed
US-11385221-B2 Alzheimer's disease assay in a living patient PAIN THERAPEUTICS, INC. (US) 2022-07-12 — — US disclosed
WO-2022098700-A1 INHIBITING AN IMMUNE RESPONSE MEDIATED BY ONE OR MORE OF TLR2, RAGE, CCR5, CXCR4 AND CD4 CASSAVA SCIENCES, INC. (US) 2022-05-12 — — WO disclosed
US-20210389298-A1 Alzheimer's Disease Assay in a Living Patient PAIN THERAPEUTICS, INC. (US) 2021-12-16 — — US disclosed
US-20210095248-A1 METHOD OF INHIBITING TAU PHOSPHORYLATION PAIN THERAPEUTICS, INC. 2021-04-01 — — US disclosed
EP-3791875-A1 METHOD FOR INHIBITING GROWTH OF CANCER CELLS Pain Therapeutics, Inc. (US) 2021-03-17 — — EP disclosed
US-10760052-B2 Method of inhibiting tau phosphorylation Cassava Science, Inc. (US) 2020-09-01 — — US disclosed
EP-3054956-B1 METHOD FOR INHIBITING GROWTH OF CANCER CELLS PAIN THERAPEUTICS INC (US) 2020-08-26 — — EP disclosed
US-20190271686-A1 ALZHEIMER'S DISEASE ASSAY IN A LIVING PATIENT PAIN THERAPEUTICS, INC. 2019-09-05 — — US disclosed
US-7589207-B2 Cyclohexyl compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-09-15 — — US disclosed
US-7589207-B2 Cyclohexyl compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-09-15 — — US disclosed
US-7569579-B2 for inhibition of HIV replication and treatment of acquired immune deficiency syndrome SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 — — US disclosed
US-7569579-B2 for inhibition of HIV replication and treatment of acquired immune deficiency syndrome SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 — — US disclosed
US-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS AQUINO CHRISTOPHER JOSEPH 2009-02-26 — — US disclosed
US-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS AQUINO CHRISTOPHER JOSEPH 2009-02-26 — — US disclosed
US-7452992-B2 inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS); 1-((1R,5S)-8-{2-[3-(2,2-dimethylpropanoyl)-6-phenyl-1,3-oxazinan-6-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole SMITHKLINE BEECHAM CORPORATION (US) 2008-11-18 — — US disclosed
US-7452992-B2 inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS); 1-((1R,5S)-8-{2-[3-(2,2-dimethylpropanoyl)-6-phenyl-1,3-oxazinan-6-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole SMITHKLINE BEECHAM CORPORATION (US) 2008-11-18 — — US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 — — US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 — — 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 (4 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-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR1 KMT2A 4579/4885MEN1 4508/4885ALDH1A1 2775/4885
US-10760052-B2 Method of inhibiting tau phosphorylation FLNA, FLNB, MAPT KMT2A 1560/4885MEN1 2287/4885ALDH1A1 4388/4885
US-20210095248-A1 METHOD OF INHIBITING TAU PHOSPHORYLATION FLNA, FLNB, MAPT KMT2A 1560/4885MEN1 2287/4885ALDH1A1 4388/4885
US-11661580-B2 Method of inhibiting tau phosphorylation FLNA, FLNB, MAPT KMT2A 1560/4885MEN1 2287/4885ALDH1A1 4388/4885

“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.

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