SCHEMBL3380819

SCHEMBL3380819

C=CC(c1c[nH]c2ccccc12)N1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ATM Q13315 1/20 0.54
BRD4 O60885 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
CREBBP Q92793 1/20 0.51
HTR2C P28335 2/20 0.50
ADRB2 P07550 1/20 0.50
ADRA1D P25100 4/20 0.49
KMT2A Q03164 1/20 0.48
CCR2 P41597 2/20 0.48
SLC6A4 P31645 1/20 0.47

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
SCHEMBL7186269 0.83 KDM4E (0.45) KDM4EATMBRD4ALDH1A1POLB
SCHEMBL11577771 0.82 LMNA (0.44) KDM4EALDH1A1POLBHTR2CADRA1D
SCHEMBL742887 0.81 GPR84 (0.42) KDM4EALDH1A1HTR2CADRB2KMT2A
SCHEMBL25758177 0.78 KDM4E (0.63) KDM4EATMBRD4ALDH1A1POLB
SCHEMBL30415306 0.76 KDM4E (0.83) KDM4EATMBRD4ALDH1A1POLB
SCHEMBL3256692 0.76 KDM4E (0.83) KDM4EATMBRD4ALDH1A1POLB
SCHEMBL4797771 0.75 GPR84 (0.39) KDM4EATMALDH1A1POLBHTR2C
Hydrochloric Acid SCHEMBL27732898 0.74 KDM4E (0.81) KDM4EATMBRD4ALDH1A1POLB
SCHEMBL30909145 0.73 KDM4E (0.58) KDM4EATMBRD4ALDH1A1POLB
SCHEMBL11039324 0.73 KDM4E (0.58) KDM4EATMBRD4ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723105-B1 BICYCLIC SUBSTITUTED INDOLE-DERIVATIVE STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2013-05-15 EP disclosed
US-7728150-B2 Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2010-06-01 US disclosed
US-20070185161-A1 Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2007-08-09 US disclosed
EP-1723105-A1 BICYCLIC SUBSTITUTED INDOLE-DERIVATIVE STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-11-22 EP disclosed
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors ELI LILLY AND COMPANY (US) 2006-10-19 US disclosed
EP-1597254-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS Eli Lilly and Company (US) 2005-11-23 EP disclosed
WO-2005092854-A1 BICYCLIC SUBSTITUTED INDOLE-DERIVATIVE STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-06 WO disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 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-20070185161-A1 Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR1H2 KDM4E 3665/4885ATM 2228/4885BRD4 642/4885
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors NR3C2, NR5A1, MC2R KDM4E 3154/4885ATM 3712/4885BRD4 744/4885

“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.