SCHEMBL69250

SCHEMBL69250

[C-]#[N+]c1ccc(CN2CCC(Oc3ccc4cc(C(=O)NC5CCN(Cc6ccccc6)CC5)ccc4c3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.66
SLC6A12 P48065 1/20 0.66
SLC6A13 Q9NSD5 1/20 0.66
ROCK2 O75116 1/20 0.56
ROCK1 Q13464 1/20 0.56
MCHR1 Q99705 3/20 0.56

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
SCHEMBL4402636 0.86 ACHE (0.55) DRD4SLC6A12SLC6A13MCHR1
SCHEMBL61347 0.86 DRD4 (0.66) DRD4SLC6A12SLC6A13
SCHEMBL61628 0.86 DRD4 (0.78) DRD4SLC6A12SLC6A13MCHR1
SCHEMBL2388851 0.82 KMT2A (0.74) DRD4SLC6A12SLC6A13MCHR1
SCHEMBL4405711 0.81 ACHE (0.52) DRD4SLC6A12SLC6A13MCHR1
SCHEMBL62036 0.81 DRD4 (0.69) DRD4SLC6A12SLC6A13MCHR1
SCHEMBL12226805 0.81 OPRK1 (0.70) DRD4SLC6A12SLC6A13MCHR1
SCHEMBL4405714 0.78 ACHE (0.46) MCHR1
SCHEMBL62398 0.78 DRD4 (0.85) DRD4SLC6A12SLC6A13ROCK2ROCK1
SCHEMBL3665894 0.78 PRKAA2 (0.56) DRD4SLC6A12SLC6A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129390-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-03-06 US disclosed
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-06-25 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-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 DRD4 2946/4885SLC6A12 4061/4885SLC6A13 4240/4885

“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.