SCHEMBL19008157

SCHEMBL19008157

CC(=O)N1CCC(NCc2cccc(C(C)C)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 1/20 0.49
▸ TEAD1 P28347 2/20 0.45
▸ BACE1 P56817 4/20 0.44
▸ ACHE P22303 1/20 0.44
▸ CTSD P07339 3/20 0.44
▸ LTA4H P09960 3/20 0.44
▸ PDCD1LG2 Q9BQ51 1/20 0.43
▸ CD274 Q9NZQ7 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ RORC P51449 1/20 0.42
▸ CARM1 Q86X55 4/20 0.42
▸ PRMT6 Q96LA8 4/20 0.42
▸ PRMT8 Q9NR22 1/20 0.42
▸ NSD2 O96028 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL18626550 0.86 MEN1 (0.54) DRD4ALDH1A1KDM4ELMNAMAPT
SCHEMBL15587408 0.84 ACHE (0.63) DRD4TEAD1BACE1ACHELTA4H
SCHEMBL5022826 0.83 ALDH1A1 (0.51) BACE1ACHECTSDALDH1A1CARM1
SCHEMBL18626507 0.82 OPRL1 (0.43) DRD4TEAD1LTA4HCARM1PRMT6
SCHEMBL29238649 0.82 DRD4 (0.61) DRD4BACE1ACHELTA4HCARM1
SCHEMBL19008153 0.80 ALDH1A1 (0.56) BACE1ACHECTSDALDH1A1KDM4E
SCHEMBL18626538 0.80 ALDH1A1 (0.60) BACE1ACHECTSDALDH1A1KDM4E
SCHEMBL19633483 0.79 PRMT5 (0.50) ALDH1A1RORCKDM4ELMNAMAPT
SCHEMBL19008147 0.78 ALDH1A1 (0.47) BACE1ACHECTSDLTA4HALDH1A1
SCHEMBL13573575 0.78 LTA4H (0.52) DRD4TEAD1BACE1ACHELTA4H

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-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 — — US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 — — 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-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR DRD4 2093/4885TEAD1 648/4885BACE1 3929/4885

“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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