SCHEMBL3160680

SCHEMBL3160680

Clc1cccc(CC2CCCN2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.58
▸ GHSR Q92847 6/20 0.49
▸ HTR6 P50406 4/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ HTR1D P28221 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ ADRA1B P35368 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ MAOB P27338 1/20 0.43

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
SCHEMBL6991208 1.00 POLB (0.58) POLBGHSRHTR6MEN1ALDH1A1
SCHEMBL29813025 0.95 POLB (0.66) POLBGHSRHTR6HTR1ACYP2D6
SCHEMBL20828207 0.95 POLB (0.66) POLBGHSRHTR6HTR1ACYP2D6
SCHEMBL6990304 0.95 POLB (0.66) POLBGHSRHTR6HTR1ACYP2D6
SCHEMBL11478700 0.94 POLB (0.64) POLBGHSRHTR6HTR1ACYP2D6
SCHEMBL19190790 0.84 POLB (0.51) POLBGHSRHTR6HTR1ACYP2D6
SCHEMBL6989999 0.83 POLB (0.51) POLBHTR6
SCHEMBL14940090 0.82 POLB (0.60) POLBHTR6HTR2A
SCHEMBL14940087 0.82 POLB (0.60) POLBHTR6HTR2A
SCHEMBL24222486 0.81 POLB (0.58) POLBHTR6HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020190119-A1 HETEROARYL DERIVATIVE, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT 주식회사 보로노이 2020-09-24 — — WO disclosed
CN-108976227-A Benzothiazine -4- ketone compounds containing alkaline bridged ring segment and preparation method thereof 浙江司太立制药股份有限公司 2018-12-11 — — CN disclosed
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 — — US disclosed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 — — US disclosed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 — — US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 — — US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 — — US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 — — US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 — — US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 — — US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 — — US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 — — EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 — — US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 — — US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 — — US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 — — EP disclosed
US-6821964-B2 FOR PROPHYLAXIS AND THERAPY OF DISEASES ASSOCIATED WITH MONOCYTE ACCUMULATION, LYMPHOCYTE ACCUMULATION OR LEUCOCYTE ACCUMULATION PFIZER INC 2004-11-23 — — 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 (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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 POLB 4435/4885GHSR 4058/4885HTR6 1608/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 POLB 4435/4885GHSR 4058/4885HTR6 1608/4885
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN FABP4, FABP1, FABP3 POLB 4687/4885GHSR 1645/4885HTR6 3261/4885

“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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