SCHEMBL20128690

SCHEMBL20128690

CC(C)(C)Cc1ccc(CCCNC(C)(C)C)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.37
HRH4 Q9H3N8 2/20 0.37
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
NFKB1 P19838 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CYP1A2 P05177 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL18995947 0.78 GABRP (0.40) HRH3HRH4NFKB1L3MBTL1CYP1A2
SCHEMBL12723477 0.77 SMN1; SMN2 (0.40) HRH3CYP4F2CYP4A11NFKB1L3MBTL1
SCHEMBL21933649 0.77 POLB (0.50) HRH3HRH4CYP4F2CYP4A11L3MBTL1
SCHEMBL10223944 0.76 ESR1 (0.45) HRH3CYP4F2CYP4A11CYP1A2ALDH1A1
SCHEMBL18591716 0.74 ESR1 (0.44) HRH3HRH4KCNH2L3MBTL1POLB
SCHEMBL20998480 0.73 ALDH1A1 (0.35) HRH3HRH4L3MBTL1KDM4EMEN1
SCHEMBL15342096 0.73 HRH3 (0.47) HRH3L3MBTL1CYP1A2KDM4EMEN1
SCHEMBL18591743 0.73 KDM4E (0.53) HRH3CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL19287561 0.72 KCNH2 (0.43) HRH3HRH4CTSLCTSBCTSS
SCHEMBL14233713 0.72 HRH4 (0.33) HRH3HRH4CTSLCTSBCTSS

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-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 US disclosed
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 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 (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-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 HRH3 3565/4885HRH4 4188/4885CTSL 2961/4885

“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.