SCHEMBL12606646

SCHEMBL12606646

Cc1ccc(C(=O)N2CCC(O)(O)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRD O14764 1/20 0.65
▸ GABRA1 P14867 1/20 0.65
▸ GABRB1 P18505 1/20 0.65
▸ GABRA5 P31644 1/20 0.65
▸ GABRA3 P34903 1/20 0.65
▸ GABRA2 P47869 1/20 0.65
▸ GABRB2 P47870 1/20 0.65
▸ GABRA4 P48169 1/20 0.65
▸ ALDH1A1 P00352 3/20 0.62
▸ PKM P14618 2/20 0.62
▸ HPGD P15428 2/20 0.62
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ MAPT P10636 1/20 0.53
▸ LMNA P02545 3/20 0.53
▸ HSD11B1 P28845 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ MGLL Q99685 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ SLC6A7 Q99884 1/20 0.49

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
SCHEMBL15473398 0.88 GABRD (0.63) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL4557193 0.85 ALDH1A1 (0.84) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL10726712 0.85 ALDH1A1 (0.84) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL12082834 0.84 GABRD (0.63) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL17572990 0.82 GABRD (0.57) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL12606631 0.82 ALDH1A1 (0.62) ALDH1A1HPGDKMT2AMAPTLMNA
SCHEMBL25332380 0.81 GABRD (0.60) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL1753628 0.81 HPGD (0.76) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL10192065 0.81 ALDH1A1 (0.71) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL14297349 0.81 PKM (0.61) GABRDGABRA1GABRB1GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124867-A1 Process and intermediates for the Synthesis of heterocyclic Substituted Piperazines with CXCR3 Antagonist Activity SCHERING CORPORATION (US) 2011-05-26 — — 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-20110124867-A1 Process and intermediates for the Synthesis of heterocyclic Substituted Piperazines with CXCR3 Antagonist Activity CXCR3, CXCR5, CCR5 GABRD 1231/4885GABRA1 1053/4885GABRB1 1423/4885

“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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