SCHEMBL16812287

SCHEMBL16812287

CC1CCN(C(=O)c2cc(C(C)C)n[nH]2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ ACHE P22303 1/20 0.43
▸ HPGD P15428 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ TP53 P04637 1/20 0.43
▸ KDM5A P29375 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ APOBEC3A P31941 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LIPE Q05469 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38

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
SCHEMBL18161035 0.88 KDM5A (0.44) KDM5AKDM5B
SCHEMBL13779967 0.83 ALPL (0.52) —
SCHEMBL17672418 0.83 KDM5A (0.45) KDM5AKDM5B
SCHEMBL14925554 0.82 ALPL (0.51) HPGDALDH1A1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL17672405 0.82 KDM5A (0.44) KDM5AKDM5B
SCHEMBL28208763 0.81 KDM5A (0.43) KDM5AKDM5B
SCHEMBL27158171 0.80 SCD5 (0.50) KDM5AKDM5B
SCHEMBL17672375 0.79 KDM5A (0.57) KDM5AKDM5B
SCHEMBL17682468 0.79 KDM5A (0.65) KDM5AKDM5B
SCHEMBL17682680 0.79 KDM5A (0.69) KDM5AKDM5B

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-20160304524-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2016-10-20 — — US disclosed
WO-2015089143-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-18 — — 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-20160304524-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA RESPONSES TYK2, IFNAR1, JAK3 NPC1 4877/4885RAB9A 2405/4885ACHE 4828/4885

“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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