SCHEMBL2086122

SCHEMBL2086122

C1=C(c2cc3c(OCCN4CCOCC4)cccc3[nH]2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.43
▸ DRD1 P21728 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD5 P21918 1/20 0.42
▸ PARP1 P09874 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ LCK P06239 1/20 0.40
▸ TXK P42681 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ ITK Q08881 1/20 0.40
▸ CHUK O15111 1/20 0.40
▸ INSR P06213 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
SCHEMBL2088357 0.80 ITK (0.41) CCNT1CDK9ITK
SCHEMBL2086913 0.78 ITK (0.39) ITK
SCHEMBL24020774 0.74 SRD5A2 (0.56) MAOBDRD1DRD4DRD5TSHR
SCHEMBL3365172 0.74 MEN1 (0.43) SMN1; SMN2CNR2CCNT1CDK9KDM4E
SCHEMBL4067053 0.74 MAOB (0.53) MAOBDRD1DRD4DRD5SMN1; SMN2
SCHEMBL24020775 0.72 DRD2 (0.55) MAOBPOLBCNR1CNR2KDM4E
SCHEMBL24449992 0.72 DRD2 (0.50) MAOBPOLBCNR1CNR2KDM4E
SCHEMBL29062924 0.72 HTR1A (0.55) MAOBDRD1DRD4DRD5SMN1; SMN2
SCHEMBL2087832 0.70 F9 (0.42) TSHRSMN1; SMN2POLBCCNT1CDK9
SCHEMBL23836113 0.70 KDM4E (0.53) MAOBPOLBCNR1CNR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716493-B2 Multicyclic compounds and the use thereof CEPHALON, INC. (US) 2014-05-06 — — US disclosed
EP-2066324-B1 CYCLOALKANOPYROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON INC (US) 2013-05-29 — — EP disclosed
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF CEPHALON, INC. (US) 2011-03-10 — — US disclosed
EP-2066324-A2 CYCLOALKANOPYROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON, INC. (US) 2009-06-10 — — EP disclosed
WO-2007149451-A2 CYCLOALKANOPYRROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON, INC. (US) 2007-12-27 — — WO disclosed
US-20060276497-A1 Novel multicyclic compounds and the use thereof CEPHALON, INC. (US) 2006-12-07 — — 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 (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-20060276497-A1 Novel multicyclic compounds and the use thereof MLKL, PARP3, PARP1 MAOB 829/4885DRD1 1923/4885DRD4 2323/4885
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF MLKL, PARP3, PARP1 MAOB 829/4885DRD1 1923/4885DRD4 2323/4885

“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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