SCHEMBL3131589

SCHEMBL3131589

O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2nc(Oc3ccccc3)no2)C1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 8/20 0.72
▸ ALDH1A1 P00352 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ GRM5 P41594 1/20 0.53
▸ CLPP Q16740 1/20 0.53
▸ LMNA P02545 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HPGD P15428 1/20 0.50

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
SCHEMBL3131598 1.00 HSD11B1 (0.72) HSD11B1ALDH1A1TSHRNPC1RAB9A
SCHEMBL4646170 0.90 HSD11B1 (0.60) HSD11B1ALDH1A1TSHRNPC1RAB9A
SCHEMBL4646180 0.90 HSD11B1 (0.60) HSD11B1ALDH1A1TSHRNPC1RAB9A
SCHEMBL4620646 0.90 GRM5 (0.67) HSD11B1ALDH1A1TSHRNPC1RAB9A
SCHEMBL3137282 0.90 GRM5 (0.67) HSD11B1ALDH1A1TSHRNPC1RAB9A
SCHEMBL3138077 0.90 HSD11B1 (0.58) HSD11B1ALDH1A1TSHRNPC1RAB9A
SCHEMBL3138067 0.90 HSD11B1 (0.58) HSD11B1ALDH1A1TSHRNPC1RAB9A
SCHEMBL3137493 0.89 ALDH1A1 (0.66) HSD11B1ALDH1A1TSHRNPC1RAB9A
SCHEMBL3137500 0.89 ALDH1A1 (0.66) HSD11B1ALDH1A1TSHRNPC1RAB9A
SCHEMBL3145568 0.89 HSD11B1 (0.60) HSD11B1NPC1RAB9AGRM5CLPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2010-01-07 — — US claimed
US-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2010-01-07 — — 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-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM1, GRIK5 HSD11B1 3344/4885ALDH1A1 4618/4885TSHR 320/4885

“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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