SCHEMBL3220995

SCHEMBL3220995

COc1cccc(OC)c1CNCc1cc(Cl)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL3206294 0.81 ALDH1A1 (0.51) KDM4EALDH1A1CYP3A4CYP2D6GAA
SCHEMBL3211864 0.78 MAPT (0.47) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL23254196 0.74 BCHE (0.46) HTR2AALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL4629157 0.74 KDM4E (0.67) KDM4EALDH1A1MEN1KMT2ANPSR1
SCHEMBL3251926 0.74 IDO1 (0.57) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL5108078 0.70 SLC6A4 (0.53) HTR2AALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL8504988 0.70 ALDH1A1 (0.45) HTR2AKDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL3198039 0.69 ALDH1A1 (0.65) KDM4EALDH1A1MEN1KMT2ANPSR1
SCHEMBL23254110 0.69 TSHR (0.42) ALDH1A1CA1CA2CA9CYP1A2
Hydrochloric Acid SCHEMBL16800084 0.69 SLC6A4 (0.51) HTR2AALDH1A1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 — — US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 — — US disclosed
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 — — EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 — — 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 (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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C HTR2A 5/4885HTR2C 3/4885KDM4E 3028/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C HTR2A 5/4885HTR2C 3/4885KDM4E 3028/4885

“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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