Sugi Predict

Sugi Predict / Compounds / SCHEMBL3995656

SCHEMBL3995656

SCHEMBL3995656

C[C@@H](CC[C@H](N)CC(=O)O)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ S1PR2 O95136 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ GABRP O00591 2/20 0.34
▸ GABRD O14764 2/20 0.34
▸ GABRA1 P14867 2/20 0.34
▸ GABRB1 P18505 2/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ GABRA3 P34903 2/20 0.34
▸ GABRA2 P47869 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ GABRA4 P48169 2/20 0.34
▸ GABRE P78334 2/20 0.34
▸ GABRA6 Q16445 2/20 0.34
▸ GABRG1 Q8N1C3 2/20 0.34
▸ GABRG3 Q99928 2/20 0.34
▸ GABRQ Q9UN88 2/20 0.34
▸ EPHX1 P07099 3/20 0.33

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
SCHEMBL3998280 1.00 ALDH1A1 (0.46) ALDH1A1S1PR2S1PR1GABRPGABRD
SCHEMBL3998146 1.00 ALDH1A1 (0.46) ALDH1A1S1PR2S1PR1GABRPGABRD
SCHEMBL3997728 0.98 ALDH1A1 (0.49) ALDH1A1S1PR2S1PR1GABRPGABRD
SCHEMBL3994549 0.98 ALDH1A1 (0.49) ALDH1A1S1PR2S1PR1GABRPGABRD
SCHEMBL3996366 0.98 ALDH1A1 (0.49) ALDH1A1S1PR2S1PR1GABRPGABRD
SCHEMBL3997850 0.97 ALDH1A1 (0.42) ALDH1A1S1PR2S1PR1GABRPGABRD
SCHEMBL5981671 0.97 ALDH1A1 (0.42) ALDH1A1S1PR2S1PR1GABRPGABRD
SCHEMBL4001980 0.97 ALDH1A1 (0.42) ALDH1A1S1PR2S1PR1GABRPGABRD
SCHEMBL3993608 0.97 ALDH1A1 (0.42) ALDH1A1S1PR2S1PR1GABRPGABRD
SCHEMBL4001056 0.93 ALDH1A1 (0.37) ALDH1A1S1PR2S1PR1GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517909-B2 Amino acids with affinity for the α2δ-protein PFIZER INC (US) 2009-04-14 — — US disclosed
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein BRAMSON CANDACE 2006-11-02 — — US disclosed
US-7112610-B2 Methods for using amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2006-09-26 — — US disclosed
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein BARTA NANCY S 2006-07-13 — — US disclosed
US-7064147-B2 Amino acids with affinity for the α-2-delta-protein WARNER-LAMBERT COMPANY (US) 2006-06-20 — — US disclosed
US-20050124669-A1 Methods for using amino acids with affinity for the alpha2delta-protein BRAMSON CANDACE (US) 2005-06-09 — — 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 (3 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-20050124669-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ALDH1A1 2020/4885S1PR2 3566/4885S1PR1 4618/4885
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, SCN1A ALDH1A1 2297/4885S1PR2 3482/4885S1PR1 4491/4885
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ALDH1A1 2020/4885S1PR2 3566/4885S1PR1 4618/4885

“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.