SCHEMBL18553331

SCHEMBL18553331

C[C@@H]1CCN1c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 4/20 0.48
▸ PLD1 Q13393 1/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ AVPR1A P37288 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL26972626 1.00 GRM1 (0.48) GRM1PLD1HRH3SMN1; SMN2ALDH1A1
SCHEMBL23875354 1.00 GRM1 (0.48) GRM1PLD1HRH3SMN1; SMN2ALDH1A1
SCHEMBL15201158 0.89 HRH3 (0.50) GRM1HRH3SMN1; SMN2ALDH1A1MAPT
SCHEMBL14360624 0.89 HRH3 (0.50) GRM1HRH3SMN1; SMN2ALDH1A1MAPT
SCHEMBL27268114 0.88 LMNA (0.50) GRM1HRH3SMN1; SMN2ALDH1A1MAPT
SCHEMBL16269503 0.84 GRM1 (0.45) GRM1PLD1HRH3ALDH1A1MAPT
SCHEMBL29442179 0.78 ATR (0.55) ALDH1A1KDM4E
SCHEMBL20129603 0.78 PLD1 (0.54) GRM1PLD1SMN1; SMN2ALDH1A1
SCHEMBL20141500 0.78 PLD1 (0.54) GRM1PLD1SMN1; SMN2ALDH1A1
SCHEMBL2127456 0.78 ATR (0.55) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3137447-B1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX INC (US) 2021-06-30 — — EP disclosed
US-10308597-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2019-06-04 — — US disclosed
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2017-02-23 — — 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 (2 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-10308597-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 GRM1 2327/4885PLD1 4318/4885HRH3 4186/4885
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 GRM1 2327/4885PLD1 4318/4885HRH3 4186/4885

“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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