SCHEMBL30087352

SCHEMBL30087352

NCC1(O)CCCCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
USP2 O75604 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
BLM P54132 1/20 0.41
CACNA2D1 P54289 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 2/20 0.34
SLC6A3 Q01959 4/20 0.32
SLC6A4 P31645 3/20 0.32
DPP4 P27487 1/20 0.31
SLC6A2 P23975 2/20 0.30

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
SCHEMBL56742 1.00
SCHEMBL3043105 1.00 TSHR (0.41) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL491716 1.00 TSHR (0.41) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL17288070 1.00 TSHR (0.41) TSHRUSP2ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL12483735 0.97 USP2 (0.39) TSHRUSP2ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL491971 0.97 USP2 (0.39) TSHRUSP2ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL8788527 0.97 USP2 (0.39) TSHRUSP2ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL57599 0.97 USP2 (0.39) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL944236 0.97
Hydrochloric Acid SCHEMBL3074729 0.94 USP2 (0.38) TSHRUSP2ALDH1A1LMNACYP1A2

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-11510903-B2 Synergic pharmaceutical composition of the active enantiomer (S)-ketorolac and Gabapentin for the treatment of neuropathic pain Amezcua, Federico Amezcua (MX) 2022-11-29 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-11510903-B2 Synergic pharmaceutical composition of the active enantiomer (S)-ketorolac and Gabapentin for the treatment of neuropathic pain OPRK1, OPRD1, GABRA5 TSHR 4208/4885USP2 3338/4885ALDH1A1 1974/4885

“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.