SCHEMBL23711751

SCHEMBL23711751

Cc1cccc(-n2ncc3ccc(N4CCNCC4)cc32)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 4/20 0.63
▸ KHK P50053 10/20 0.59
▸ HTR3E A5X5Y0 1/20 0.46
▸ HTR3B O95264 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ HTR5A P47898 1/20 0.46
▸ HTR3D Q70Z44 1/20 0.46
▸ HTR3C Q8WXA8 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ PIM1 P11309 2/20 0.45
▸ PIM3 Q86V86 2/20 0.45
▸ PIM2 Q9P1W9 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAP4K1 Q92918 1/20 0.43

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
SCHEMBL31278709 1.00 ADRB1 (0.63) ADRB1KHKHTR3EHTR3BHTR3A
SCHEMBL23711728 0.95 ADRB1 (0.58) ADRB1KHKHTR3APIM1PIM3
SCHEMBL31279811 0.95 ADRB1 (0.58) ADRB1KHKHTR3APIM1PIM3
SCHEMBL31279507 0.91 KHK (0.58) ADRB1KHKPIM1PIM3PIM2
SCHEMBL23711752 0.91 KHK (0.58) ADRB1KHKPIM1PIM3PIM2
SCHEMBL23711767 0.89 KHK (0.51) ADRB1KHKPIM1PIM3PIM2
SCHEMBL31279859 0.89 KHK (0.51) ADRB1KHKPIM1PIM3PIM2
SCHEMBL23711775 0.85 KHK (0.55) ADRB1KHKPIM1PIM3PIM2
SCHEMBL31279241 0.85 KHK (0.55) ADRB1KHKPIM1PIM3PIM2
SCHEMBL23711732 0.85 KHK (0.49) ADRB1KHKPIM1PIM3PIM2

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-20210275494-A1 METHODS FOR FRUCTOKINASE MEDIATION OF ALCOHOL CRAVING AND ALCOHOL INDUCED LIVER DISEASE THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2021-09-09 — — US disclosed
US-20210275494-A1 METHODS FOR FRUCTOKINASE MEDIATION OF ALCOHOL CRAVING AND ALCOHOL INDUCED LIVER DISEASE THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2021-09-09 — — US disclosed
US-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-08-10 — — US disclosed
US-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-08-10 — — 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-20210275494-A1 METHODS FOR FRUCTOKINASE MEDIATION OF ALCOHOL CRAVING AND ALCOHOL INDUCED LIVER DISEASE KHK, GCK, FN3K ADRB1 1194/4885KHK 1/4885HTR3E 3153/4885
US-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases KHK, GCK, HK1 ADRB1 487/4885KHK 1/4885HTR3E 898/4885

“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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