SCHEMBL15519258

SCHEMBL15519258

O=C(O)CCc1ccn(-c2ccc(F)cn2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.49
KDM5A P29375 4/20 0.40
KDM4C Q9H3R0 4/20 0.40
KDM5B Q9UGL1 4/20 0.40
KDM4A O75164 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CYP2C8 P10632 2/20 0.37
CYP2C9 P11712 2/20 0.37

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
SCHEMBL15519476 0.86 AR (0.41) HCAR2KDM5AKDM4CKDM5BKDM4A
SCHEMBL15522023 0.81 HCAR2 (0.41) HCAR2KDM5AKDM4CKDM5BKDM4A
SCHEMBL13933900 0.81 HCRTR1 (0.40) HCAR2KDM5AKDM4CKDM5BHCRTR1
SCHEMBL15520488 0.80 HCAR2 (0.37) HCAR2KDM5AKDM4CKDM5BKDM4A
SCHEMBL15603543 0.80 KDM5A (0.40) HCAR2KDM5AKDM4CKDM5BKDM4A
SCHEMBL15522331 0.79 KDM5A (0.40) HCAR2KDM5AKDM4CKDM5BKDM4A
Hydrochloric Acid SCHEMBL15520216 0.79 HCAR2 (0.37) HCAR2KDM5AKDM4CKDM5BKDM4A
SCHEMBL13933901 0.77 GRIA1 (0.37) HCAR2HCRTR1HCRTR2CYP2C8CYP2C9
SCHEMBL18611527 0.77 GRIA1 (0.40) HCAR2KDM5AKDM4CKDM5BHCRTR1
SCHEMBL15519024 0.77 TAAR1 (0.39) HCAR2KDM5AKDM4CKDM5BHCRTR1

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-20140081025-A1 HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-03-20 US disclosed
US-20140081025-A1 HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-03-20 US disclosed
US-20140081025-A1 HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-03-20 US disclosed
EP-2708537-A1 HETEROAROMATIC RING DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-03-19 EP 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-20140081025-A1 HETEROAROMATIC RING DERIVATIVE HCRTR2, HCRTR1, HTT HCAR2 53/4885KDM5A 3810/4885KDM4C 3725/4885

“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.