SCHEMBL7916133

SCHEMBL7916133

CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.60
PDK4 Q16654 1/20 0.59
GABRP O00591 1/20 0.59
GABRD O14764 1/20 0.59
GABRA1 P14867 1/20 0.59
GABRB1 P18505 1/20 0.59
GABRG2 P18507 1/20 0.59
GABRB3 P28472 1/20 0.59
GABRA5 P31644 1/20 0.59
GABRA3 P34903 1/20 0.59
GABRA2 P47869 1/20 0.59
GABRB2 P47870 1/20 0.59
GABRA4 P48169 1/20 0.59
GABRE P78334 1/20 0.59
GABRA6 Q16445 1/20 0.59
GABRG1 Q8N1C3 1/20 0.59
GABRG3 Q99928 1/20 0.59
GABRQ Q9UN88 1/20 0.59
LMNA P02545 4/20 0.58
KDM4E B2RXH2 3/20 0.58

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
SCHEMBL31285862 1.00 MAPT (0.60) MAPTPDK4GABRPGABRDGABRA1
SCHEMBL24330027 0.89 MAPT (0.49) MAPTPDK4GABRPGABRDGABRA1
SCHEMBL8613887 0.86 GABRP (0.63) PDK4GABRPGABRDGABRA1GABRB1
SCHEMBL14143340 0.86 PDK4 (0.61) MAPTPDK4GABRPGABRDGABRA1
SCHEMBL3226626 0.85 MAPT (0.66) MAPTLMNAKDM4EALOX15HTR6
SCHEMBL4773456 0.85 GABRP (0.58) MAPTPDK4GABRPGABRDGABRA1
SCHEMBL6381977 0.85 GABRP (0.56) MAPTPDK4GABRPGABRDGABRA1
SCHEMBL12326386 0.85 GABRP (0.56) MAPTPDK4GABRPGABRDGABRA1
SCHEMBL892861 0.85 GABRP (0.62) MAPTPDK4GABRPGABRDGABRA1
SCHEMBL4878519 0.85 TDO2 (0.57) MAPTPDK4GABRPGABRDGABRA1

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
WO-2022078971-A1 NOVEL COMPOUNDS AC IMMUNE SA (CH) 2022-04-21 WO disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
US-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA (US) 2014-11-27 US disclosed
US-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA (US) 2014-11-27 US disclosed
US-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA (US) 2014-11-27 US disclosed
CN-103929961-A Compounds and therapeutic uses thereof MYREXIS INC 2014-07-16 CN disclosed
WO-2012177782-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-12-27 WO disclosed
WO-2010097334-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
EP-1777223-A1 Indole derivatives useful as histamine H3 antagonists SCHERING CORPORATION (US) 2007-04-25 EP disclosed
WO-2000037074-A1 MUTILIN 14-ESTER DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-06-29 WO disclosed
EP-0619805-B1 5-(HETERO- OR CARBOCYCLYLAMINO)-INDOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1 AGONISTS PFIZER (US) 2000-03-15 EP disclosed
CN-1045294-C Indole derivatives PFIZER (US) 1999-09-29 CN disclosed
WO-1997047302-A1 INHIBITION OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1997-12-18 WO disclosed
US-5639752-A SEROTONIN AGONIST PFIZER INC (US) 1997-06-17 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 (1 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-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD4, CD47 MAPT 3977/4885PDK4 439/4885GABRP 2459/4885

“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.