SCHEMBL1906269

SCHEMBL1906269

c1ccc(-n2ccc(C3CC3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.53
▸ FAAH O00519 1/20 0.49
▸ USP30 Q70CQ3 2/20 0.47
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HPGD P15428 1/20 0.39

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
SCHEMBL17239466 0.92 MGLL (0.54) MGLLFAAHUSP30NPC1RAB9A
SCHEMBL18124218 0.84 MGLL (0.46) MGLLFAAHUSP30L3MBTL1DDB1
SCHEMBL17239535 0.82 MGLL (0.48) MGLLFAAHUSP30NPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL19990917 0.82 MGLL (0.45) MGLLFAAHUSP30L3MBTL1DDB1
SCHEMBL16705086 0.81 NPC1 (0.55) MGLLFAAHUSP30NPC1RAB9A
SCHEMBL10136304 0.78 NPC1 (0.48) MGLLNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL6371892 0.78 MGLL (0.40) MGLLFAAHUSP30NPC1RAB9A
SCHEMBL13619384 0.77 NPC1 (0.42) MGLLFAAHUSP30NPC1RAB9A
SCHEMBL17239428 0.76 DDB1 (0.44) MGLLFAAHUSP30L3MBTL1ALDH1A1
SCHEMBL30546521 0.75 GRM5 (0.45) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1

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-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 — — US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 — — US disclosed
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 — — EP disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 — — WO 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 MGLL 4844/4885FAAH 4838/4885USP30 4210/4885

“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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