SCHEMBL3068873

SCHEMBL3068873

CCOC(=O)CCN1CCN(c2ccccc2OC)CC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.68
DRD2 P14416 2/20 0.65
ALDH1A1 P00352 1/20 0.63
MAPT P10636 1/20 0.63
HTT P42858 1/20 0.63
KMT2A Q03164 1/20 0.63
PKM P14618 1/20 0.62
DRD3 P35462 1/20 0.62
MAPK1 P28482 1/20 0.62
DRD4 P21917 1/20 0.60

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
SCHEMBL1491170 0.93 DRD2 (0.67) HTR1ADRD2ALDH1A1PKMDRD3
SCHEMBL11080260 0.92 HTR1A (0.67) HTR1ADRD2ALDH1A1DRD3DRD4
SCHEMBL11029655 0.91 HTR1A (0.68) HTR1ADRD2DRD3
Hydrochloric Acid SCHEMBL11083772 0.91 HTR1A (0.66) HTR1ADRD2ALDH1A1DRD3
SCHEMBL11086815 0.91 HTR1A (0.68) HTR1ADRD2DRD3
SCHEMBL11630844 0.90 HTR1A (0.67) HTR1ADRD2ALDH1A1KMT2ADRD3
Hydrochloric Acid SCHEMBL11089984 0.90 HTR1A (0.67) HTR1ADRD2DRD3
Hydrochloric Acid SCHEMBL11082872 0.90 HTR1A (0.67) HTR1ADRD2DRD3
SCHEMBL3060824 0.88 DRD2 (0.62) HTR1ADRD2ALDH1A1PKMDRD3
SCHEMBL25408131 0.87 PKM (0.65) HTR1ADRD2ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183227-B1 1,2,4-TRIAZOLE DERIVATIVES AS SEROTONERGIC MODULATORS PROSARIX LTD (GB) 2014-09-24 EP disclosed
EP-2183227-B1 1,2,4-TRIAZOLE DERIVATIVES AS SEROTONERGIC MODULATORS PROSARIX LTD (GB) 2014-09-24 EP disclosed
US-8247420-B2 Compositions, synthesis, and methods of using quinolinone based atypical antipsychotic agents REVIVA PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-8222254-B2 1, 2, 4-triazole derivatives as serotonergic modulators PROSARIX LIMITED (GB) 2012-07-17 US disclosed
US-8222254-B2 1, 2, 4-triazole derivatives as serotonergic modulators PROSARIX LIMITED (GB) 2012-07-17 US disclosed
US-8222254-B2 1, 2, 4-triazole derivatives as serotonergic modulators PROSARIX LIMITED (GB) 2012-07-17 US disclosed
US-20100261732-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS SEROTONERGIC MODULATORS PROSARIX LIMITED 2010-10-14 US disclosed
US-20100261732-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS SEROTONERGIC MODULATORS PROSARIX LIMITED 2010-10-14 US disclosed
US-20100261732-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS SEROTONERGIC MODULATORS PROSARIX LIMITED 2010-10-14 US disclosed
EP-2183227-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS SEROTONERGIC MODULATORS Prosarix Limited (GB) 2010-05-12 EP disclosed
EP-2162135-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING QUINOLINONE BASED ATYPICAL ANTIPSYCHOTIC AGENTS Reviva Pharmaceuticals, Inc. (US) 2010-03-17 EP disclosed
WO-2009019472-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS SEROTONERGIC MODULATORS PROSARIX LIMITED (GB) 2009-02-12 WO disclosed
WO-2009019472-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS SEROTONERGIC MODULATORS PROSARIX LIMITED (GB) 2009-02-12 WO disclosed
WO-2008144764-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING QUINOLINONE BASED ATYPICAL ANTIPSYCHOTIC AGENTS REVIVA PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
US-20080293736-A1 Compositions, Synthesis, and Methods of Using Quinolinone Based Atypical Antipsychotic Agents REVIVA PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
US-6894052-B1 Serotonergic receptor antagonist RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2005-05-17 US disclosed
EP-1000046-B1 PIPERAZINE DERIVATIVES ACTIVE ON THE LOWER URINARY TRACT RECORDATI CHEM PHARM (CH) 2003-11-26 EP disclosed
EP-1000046-A1 PIPERAZINE DERIVATIVES ACTIVE ON THE LOWER URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2000-05-17 EP disclosed
WO-1999006383-A1 PIPERAZINE DERIVATIVES ACTIVE ON THE LOWER URINARY TRACT RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1999-02-11 WO disclosed
US-4092416-A Benzopyrone derivatives exhibiting anti-allergic activity BOEHRINGER MANNHEIM GMBH (DT) 1978-05-30 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 (2 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-20080293736-A1 Compositions, Synthesis, and Methods of Using Quinolinone Based Atypical Antipsychotic Agents GRIN2D, GRIN2C, AP3D1 HTR1A 77/4885DRD2 26/4885ALDH1A1 2027/4885
US-20100261732-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS SEROTONERGIC MODULATORS HTR1A, HTR5A, TPH1 HTR1A 1/4885DRD2 76/4885ALDH1A1 2185/4885

“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.