SCHEMBL2018627

SCHEMBL2018627

Cc1[c]c(Cc2ccccc2)cc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.41
IDH1 O75874 3/20 0.40
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
LTA4H P09960 1/20 0.34
CYP3A4 P08684 2/20 0.33
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSPO P30536 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
GPR55 Q9Y2T6 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
SCHEMBL17180545 0.90 TAAR1 (0.38) IDH1CYP3A4TSHR
SCHEMBL9139369 0.83 TP53 (0.41) CALM1IDH1BCL2BCL2L1LTA4H
SCHEMBL11858006 0.83 NOS3 (0.38) KDM4EMAPT
SCHEMBL5050246 0.81
SCHEMBL7463268 0.76 CALM1 (0.44) CALM1BCL2BCL2L1LTA4HCYP3A4
SCHEMBL8433112 0.74 L3MBTL1 (0.37) CALM1IDH1BCL2BCL2L1CYP3A4
SCHEMBL339444 0.74 HTR1D (0.38)
SCHEMBL2852601 0.73 CALM1 (0.41) CALM1IDH1BCL2BCL2L1LTA4H
SCHEMBL18138382 0.73 CYP2C19 (0.49) IDH1CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL2091627 0.73 CALM1 (0.57) CALM1IDH1BCL2BCL2L1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 EP claimed
US-8871877-B2 Hybrid organic-inorganic materials that contain stabilized carbene UNIVERSITE CLAUDE BERNARD LYON 1 (UCBL) (FR) 2014-10-28 US disclosed
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 EP disclosed
US-8420684-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome, Huntington's Disease; hypotensive agents; sleeping/eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 4-Cyclopropylimino-5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-yl-propyl)-imidazolidin-2-one PROBIODRUG AG (DE) 2013-04-16 US disclosed
US-20110160412-A1 HYBRID ORGANIC-INORGANIC MATERIALS THAT CONTAIN STABILIZED CARBENE UNIVERSITE CLAUDE BERNARD LYON 2011-06-30 US disclosed
EP-2091945-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-08-26 EP disclosed
WO-2009092814-A1 HYBRID ORGANIC-INORGANIC MATERIALS THAT CONTAIN STABILIZED CARBENE CPE LYON FORMATION CONTINUE ET RECHERCHE (FR) 2009-07-30 WO disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 US disclosed
WO-2008055947-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-05-15 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-20110160412-A1 HYBRID ORGANIC-INORGANIC MATERIALS THAT CONTAIN STABILIZED CARBENE VIM, OSTC, ORC3 CALM1 2217/4885IDH1 27/4885BCL2 4343/4885
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL CALM1 3253/4885IDH1 40/4885BCL2 4725/4885

“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.