SCHEMBL20132972

SCHEMBL20132972

CC1CCN(c2cc(C(C)(C)C)ccn2)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.49
PDE3A Q14432 1/20 0.49
ADRB1 P08588 1/20 0.41
EGLN2 Q96KS0 1/20 0.39
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
SMPD3 Q9NY59 2/20 0.39
HRH4 Q9H3N8 2/20 0.39
ACACB O00763 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
SYK P43405 1/20 0.38
F2RL1 P55085 1/20 0.37
JAK3 P52333 1/20 0.37
DYRK1A Q13627 3/20 0.36
KMT2A Q03164 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL22755428 0.91 ADRB1 (0.47) PDE2APDE3AADRB1HRH4HRH3
SCHEMBL16282946 0.84 HRH4 (0.52) PDE2APDE3AADRB1DPP4DPP7
SCHEMBL14349617 0.84 PDE2A (0.48) PDE2APDE3AADRB1DPP4DPP7
SCHEMBL18591804 0.81 HRH4 (0.46) PDE2APDE3AADRB1DPP4DPP7
SCHEMBL24121379 0.81 ADRB1 (0.46) PDE2APDE3AADRB1HRH4HRH3
SCHEMBL16591609 0.81 ADRB1 (0.46) PDE2APDE3AADRB1DPP4DPP7
SCHEMBL17696424 0.80 GRIN2D (0.49) SMPD3HRH4SYKJAK3DYRK1A
SCHEMBL18752414 0.80 GRIN2D (0.49) SMPD3HRH4SYKJAK3DYRK1A
SCHEMBL17696421 0.80 GRIN2D (0.49) SMPD3HRH4SYKJAK3DYRK1A
SCHEMBL20381542 0.79 HRH3 (0.45) PDE2APDE3AADRB1DPP4DPP7

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-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders ARVINAS OPERATIONS, INC. (US) 2020-05-12 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 (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-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 PDE2A 4523/4885PDE3A 4583/4885ADRB1 4547/4885
US-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders MDM2, CRBN, VHL PDE2A 4717/4885PDE3A 4823/4885ADRB1 3745/4885

“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.