SCHEMBL1787918

SCHEMBL1787918

NC(=O)c1cc(C2CCCC2)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 2/20 0.53
▸ SLC6A2 P23975 4/20 0.44
▸ SLC6A4 P31645 4/20 0.44
▸ SLC6A3 Q01959 4/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMO O15229 1/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 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
SCHEMBL1785217 0.93 NPSR1 (0.45) ACMSDSLC6A2SLC6A4SLC6A3MAPT
SCHEMBL3384439 0.86 P2RX7 (0.55) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL30868172 0.81 ACMSD (0.54) ACMSDMAPTALDH1A1LMNAHTT
SCHEMBL22246846 0.80 ACMSD (0.53) ACMSDMAPTHTTKMT2AKDM4E
SCHEMBL18296100 0.79 KMT2A (0.47) ACMSDSLC6A2SLC6A4SLC6A3MAPT
SCHEMBL1786184 0.77 ACMSD (0.57) ACMSDSLC6A2SLC6A4SLC6A3MAPT
SCHEMBL27574397 0.77 ACMSD (0.52) ACMSDMAPTALDH1A1LMNAHPGD
SCHEMBL3381905 0.77 DRD2 (0.56) KMT2AMEN1HDAC8HDAC1HDAC6
SCHEMBL3985016 0.77 ACMSD (0.51) ACMSDMAPTALDH1A1LMNAHTT
SCHEMBL21434705 0.75 ALDH1A1 (0.60) ACMSDMAPTALDH1A1LMNAHPGD

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
US-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-08-08 — — US disclosed
US-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-08-08 — — US disclosed
US-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-08-08 — — US disclosed
EP-2607357-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2013-06-26 — — EP disclosed
US-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 — — US disclosed
US-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 — — US disclosed
US-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 — — US disclosed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 — — US disclosed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 — — US disclosed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 — — US disclosed
EP-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 — — EP disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 — — US disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 — — US disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 — — US disclosed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 — — 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 (4 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-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R ACMSD 3016/4885SLC6A2 1106/4885SLC6A4 964/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R ACMSD 3483/4885SLC6A2 1024/4885SLC6A4 1635/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R ACMSD 3129/4885SLC6A2 805/4885SLC6A4 2795/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R ACMSD 3016/4885SLC6A2 1106/4885SLC6A4 964/4885

“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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