SCHEMBL1244969

SCHEMBL1244969

c1ccc(C(c2ccccc2)N2CC3(CNCCO3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.54
▸ GPR55 Q9Y2T6 1/20 0.54
▸ CYP3A4 P08684 5/20 0.53
▸ USP2 O75604 4/20 0.53
▸ CYP2D6 P10635 4/20 0.53
▸ CYP2C9 P11712 3/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP2C19 P33261 1/20 0.44
▸ ALOX15 P16050 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SLC6A2 P23975 6/20 0.42
▸ SLC6A4 P31645 6/20 0.42
▸ SLC6A3 Q01959 6/20 0.42
▸ OPRD1 P41143 5/20 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
Hydrochloric Acid SCHEMBL1246878 0.98 NPSR1 (0.52) NPSR1GPR55CYP3A4USP2CYP2D6
SCHEMBL19341594 0.89 USP2 (0.56) NPSR1GPR55CYP3A4USP2CYP2D6
SCHEMBL19341593 0.85 USP2 (0.56) NPSR1GPR55CYP3A4USP2CYP2D6
SCHEMBL1121779 0.77 CYP3A4 (0.51) NPSR1GPR55CYP3A4USP2CYP2D6
SCHEMBL17611714 0.75 CYP2D6 (0.49) CYP3A4USP2CYP2D6CYP2C9CYP1A2
SCHEMBL17611758 0.75 SLC6A2 (0.43) CYP3A4USP2CYP2D6CYP2C9ALDH1A1
SCHEMBL1246058 0.74 NPSR1 (0.44) NPSR1GPR55CYP3A4USP2CYP2D6
SCHEMBL30490313 0.73 CYP3A4 (0.81) NPSR1GPR55CYP3A4USP2CYP2D6
SCHEMBL18960683 0.72 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL17611718 0.71 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2842939-B1 BENZAMIDE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-05-30 — — EP disclosed
US-9908897-B2 Spirocyclic derivatives CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-06 — — US disclosed
US-9908897-B2 Spirocyclic derivatives CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-06 — — US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 — — US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 — — US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 — — US disclosed
EP-3201195-A1 SPIROCYCLIC DERIVATIVES Chronos Therapeutics Limited (GB) 2017-08-09 — — EP disclosed
US-9695118-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-07-04 — — US disclosed
WO-2016042452-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 — — WO disclosed
WO-2016042452-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 — — WO disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 — — US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 — — US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 — — US disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 — — WO disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 — — WO disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 — — EP disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 — — US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 — — US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 — — US disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 — — 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-20170253615-A1 Spirocyclic derivatives SLC6A3, SLC10A1, ABCB11 NPSR1 151/4885GPR55 909/4885CYP3A4 1808/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 NPSR1 499/4885GPR55 1259/4885CYP3A4 60/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 NPSR1 140/4885GPR55 254/4885CYP3A4 532/4885

“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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