SCHEMBL22623976

SCHEMBL22623976

CC(C)(C)CCCOc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
DRD3 P35462 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FDPS P14324 1/20 0.46
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL10202971 0.90 CYP1A2 (0.50) DRD2DRD4DRD3CYP1A2CYP2D6
SCHEMBL7784617 0.82 MAOB (0.53) DRD2DRD4DRD3CYP1A2CYP2D6
SCHEMBL16472055 0.82 PPARA (0.54) DRD2DRD4DRD3TDP1L3MBTL1
SCHEMBL15617688 0.82 DRD2 (0.55) DRD2DRD4DRD3L3MBTL1ALDH1A1
SCHEMBL10338308 0.80 MEN1 (0.60) DRD2DRD4DRD3CYP1A2CYP2D6
SCHEMBL23574899 0.80 LTA4H (0.58) DRD2DRD4DRD3SMN1; SMN2PPARA
SCHEMBL15959433 0.80 PPARA (0.42) L3MBTL1SMN1; SMN2PPARA
SCHEMBL13526994 0.80 TDP1 (0.53) TDP1L3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL13141262 0.80 HRH3 (0.54) ALDH1A1KDM4ESMN1; SMN2MEN1LMNA
SCHEMBL13526893 0.80 APP (0.47) SMN1; SMN2PPARA

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-20210309633-A1 INDAZOLE CARBOXAMIDES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-07 US disclosed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 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-20210309633-A1 INDAZOLE CARBOXAMIDES AS KINASE INHIBITORS RIPK3, RIPK1, RIPK2 DRD2 3785/4885DRD4 4308/4885DRD3 2882/4885
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 DRD2 3796/4885DRD4 4534/4885DRD3 4122/4885

“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.