SCHEMBL14927136

SCHEMBL14927136

Cn1ccc2ccc(C(=O)NCCN3CCC(c4ccccc4)(N4CCCC4)CC3)cc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 8/20 0.49
PLD1 Q13393 8/20 0.49
CD274 Q9NZQ7 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR1A P08908 3/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
CHRNA7 P36544 1/20 0.45
PDE2A O00408 1/20 0.43
PDE10A Q9Y233 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3410705 0.83 HRH3 (0.43) CHRNA7
SCHEMBL3406256 0.75 CD274 (0.45) PLD2PLD1CD274HTR1ACYP1A2
SCHEMBL3407834 0.73 HDAC3 (0.47) CD274HTR1AHDAC3HDAC1CHRNA7
SCHEMBL28026097 0.73 DRD2 (0.57)
SCHEMBL28026513 0.71 ADRA1A (0.45) PLD2MEN1KMT2ACYP2D6CYP2C19
SCHEMBL2360258 0.71 SIGMAR1 (0.55)
SCHEMBL28026515 0.71 DRD2 (0.52) MEN1KMT2A
Hydrochloric Acid SCHEMBL2335164 0.70 OPRM1 (0.56)
SCHEMBL3403619 0.69 HRH3 (0.41) CHRNA7
SCHEMBL10724521 0.68 HTR1A (0.83) HTR1ACYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US disclosed
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US disclosed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US disclosed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 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 (1 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-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 PLD2 1570/4885PLD1 2642/4885CD274 4620/4885

“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.