SCHEMBL10274323

SCHEMBL10274323

CCc1sc2ccccc2c1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.43
▸ CNR1 P21554 3/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.42
▸ GPR3 P46089 1/20 0.41
▸ PTPN1 P18031 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CD274 Q9NZQ7 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ HTR2A P28223 1/20 0.33

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
SCHEMBL24218745 0.84 LOXL2 (0.41) CNR2CNR1LOXL2GPR3PTPN1
SCHEMBL12922043 0.75 GPR3 (0.46) LOXL2GPR3L3MBTL1KDM4ERAB9A
SCHEMBL811436 0.75 GPR3 (0.46) LOXL2GPR3KDM4ERAB9AMEN1
SCHEMBL2388976 0.75 CNR2 (0.46) CNR2CNR1LOXL2GPR3PTPN1
SCHEMBL14045624 0.75 CNR2 (0.46) CNR2CNR1LOXL2GPR3PTPN1
SCHEMBL31190192 0.75 GPR3 (0.46) LOXL2GPR3KDM4ERAB9AMEN1
SCHEMBL13352406 0.73 CNR2 (0.45) CNR2CNR1LOXL2GPR3PTPN1
SCHEMBL31078701 0.73 CNR2 (0.49) CNR2CNR1LOXL2GPR3PTPN1
SCHEMBL22810223 0.73 CNR2 (0.45) CNR2CNR1LOXL2GPR3PTPN1
SCHEMBL31412193 0.73 GPR3 (0.44) LOXL2GPR3KDM4ERAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919914-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2021-02-16 — — US disclosed
US-10702861-B2 Process for oligomerization DOW GLOBAL TECHNOLOGIES LLC (US) 2020-07-07 — — US disclosed
US-20200030783-A1 PROCESS FOR OLIGOMERIZATION DOW GLOBAL TECHNOLOGIES LLC (US) 2020-01-30 — — US disclosed
US-20190135833-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2019-05-09 — — US disclosed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 — — US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 — — US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 — — 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 (6 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-10919914-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB CNR2 1055/4885CNR1 1123/4885LOXL2 1643/4885
US-20190135833-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CNR2 1055/4885CNR1 1123/4885LOXL2 1643/4885
US-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 CNR2 11/4885CNR1 6/4885LOXL2 3006/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD CNR2 24/4885CNR1 45/4885LOXL2 3996/4885
US-20200030783-A1 PROCESS FOR OLIGOMERIZATION OXER1, NOD1, LIG1 CNR2 570/4885CNR1 379/4885LOXL2 822/4885
US-10702861-B2 Process for oligomerization OXER1, NOD1, LIG1 CNR2 570/4885CNR1 379/4885LOXL2 822/4885

“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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