SCHEMBL3667486

SCHEMBL3667486

c1ccc2c(c1)CCc1c(cccc1C1CC1)C2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2A P28223 3/20 0.39
CYP2A6 P11509 1/20 0.39
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
IDO1 P14902 4/20 0.38
PDPK1 O15530 1/20 0.38
ANPEP P15144 3/20 0.37
NOTUM Q6P988 1/20 0.36
RET P07949 1/20 0.36
HTR2C P28335 1/20 0.36
HRH1 P35367 1/20 0.36
GRIN2B Q13224 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
SCHEMBL6906970 0.78 HTR1A (0.46) HTR1AHTR7HTR2ADRD2HTR2C
SCHEMBL18828495 0.75 HTR1A (0.50) HTR1AHTR7IDO1NOTUMHTR2C
SCHEMBL24120085 0.74 HTR2C (0.51) HTR1AHTR7HTR2C
SCHEMBL31379414 0.74 CYP2A6 (0.46) HTR1ACYP2A6DRD2DRD1DRD4
Hydrochloric Acid SCHEMBL23780213 0.73 HTR2C (0.53) HTR1AHTR7HTR2C
SCHEMBL8778448 0.73 CES1 (0.53)
SCHEMBL250734 0.72 CYP2A6 (0.65) HTR2ACYP2A6DRD2DRD1DRD4
SCHEMBL2771201 0.71 CYP2A6 (0.48) CYP2A6DRD2DRD1DRD4DRD5
SCHEMBL6906227 0.71 DRD1 (0.47) HTR1AHTR7HTR2ACYP2A6DRD2
SCHEMBL1861381 0.71 ADRA2A (0.48) CYP2A6DRD2DRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220010258-A1 DEVICE THAT CAN SERVE AS A HEMATO-ENCEPHALITIC BARRIER MODEL CENTRE HOSPITALIER UNIVERSITAIRE DE POITIERS (FR) 2022-01-13 US disclosed
EP-3665264-A1 DEVICE THAT CAN SERVE AS A HEMATO-ENCEPHALITIC BARRIER MODEL Université De Poitiers (FR) 2020-06-17 EP disclosed
WO-2019030380-A1 DEVICE THAT CAN SERVE AS A HEMATO-ENCEPHALITIC BARRIER MODEL UNIVERSITE DE POITIERS (FR) 2019-02-14 WO disclosed
US-20160244457-A1 SELECTIVE EFFLUX INHIBITORS AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATMENT UNIV KANSAS (US) 2016-08-25 US disclosed
US-20150328180-A1 Composition SLOTERVAART PARTICIPATIES BV (NL) 2015-11-19 US disclosed
CN-103446162-B 3 β, 20 (S), 21-trihydroxy dammarane-24-alkene is preparing the purposes in multidrug resistance reversing agent FUDAN UNIVERSITY (CN) 2015-10-28 CN disclosed
CN-103371992-B (E)-nitrogen-(4-cinnamamide butyl) Benzoylamide is preparing the application in antitumor drug FUDAN UNIVERSITY (CN) 2015-08-19 CN disclosed
US-9089544-B2 Composition SLOTERVAART PARTICIPATIES BV (NL) 2015-07-28 US disclosed
US-20150197526-A1 SELECTIVE EFFLUX INHIBITORS AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATMENT UNIVERSITY OF KANSAS 2015-07-16 US disclosed
US-9056111-B1 Selective efflux inhibitors and related pharmaceutical compositions and methods of treatment STC.UNM (US) 2015-06-16 US disclosed
US-20090054503-A1 COMPOSITION SLOTERVAART PARTICIPATIES BV (NL) 2009-02-26 US disclosed
EP-2011489-A2 Method to inhibit ischemia and reperfusion injury Gottlieb, Roberta (US) 2009-01-07 EP disclosed
US-20060216341-A1 Compositions for treating drug resistance BCCA BRANCH (CA) 2006-09-28 US disclosed
EP-1617828-A2 NANO-SIZED VEHICLES TRANSPORTING A THERAPEUTIC AGENT AND AT LEAST ONE DRUG RESISTANCE MODULATOR FOR THE TREATMENT OF MULTI DRUG RESISTANCE Celator Pharmaceuticals, Inc. (US) 2006-01-25 EP disclosed
EP-1523310-A2 METHOD TO INHIBIT ISCHEMIA AND REPERFUSION INJURY The Scripps Research Institute (US) 2005-04-20 EP disclosed
WO-2004087094-A2 NANO-SIZED VEHICLES TRANSPORTING A THERAPEUTIC AGENT AND AT LEAST ONE DRUG RESISTANCE MODULATOR FOR THE TREATMENT OF MULTI DRUG RESISTANCE CELATOR PHARMACEUTICALS, INC. (US) 2004-10-14 WO disclosed
WO-2004004702-A2 METHOD TO INHIBIT ISCHEMIA AND REPERFUSION INJURY THE SCRIPPS RESEARCH INSTITUTE (US) 2004-01-15 WO disclosed
US-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof PURDUE RESEARCH FOUNDATION 2003-02-13 US disclosed
WO-2002030466-A2 PHARMACEUTICAL APPLICATIONS OF HYDROTROPIC AGENTS, POLYMERS THEREOF, AND HYDROGELS THEREOF PURDUE RESEARCH FOUNDATION (US) 2002-04-18 WO disclosed
WO-1999017757-A1 USE OF P-GLYCOPROTEIN (Pgp) INHIBITORS IN THE TREATMENT OF CANCER DZIEGLEWSKA HANNA EVA (GB) 1999-04-15 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-20150197526-A1 SELECTIVE EFFLUX INHIBITORS AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATMENT ABCB1, ABCG2, ABCC5 HTR1A 853/4885HTR7 1955/4885HTR2A 1046/4885
US-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof HMGB2, HTT, ABCG2 HTR1A 547/4885HTR7 114/4885HTR2A 215/4885
US-20160244457-A1 SELECTIVE EFFLUX INHIBITORS AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATMENT ABCB1, ABCG2, ABCC5 HTR1A 853/4885HTR7 1955/4885HTR2A 1046/4885

“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.