Sugi Predict

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SCHEMBL21135782

SCHEMBL21135782

CC(C)(C)OC(=O)N1C[C@H](c2cc(F)cc(F)c2)CC1C#N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 9/20 0.39
▸ AR P10275 4/20 0.37
▸ DPP8 Q6V1X1 2/20 0.36
▸ FAP Q12884 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ HTRA1 Q92743 1/20 0.35
▸ TACR1 P25103 3/20 0.35
▸ NR1H2 P55055 2/20 0.34
▸ NR1H3 Q13133 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL20002185 1.00 DPP4 (0.39) DPP4ARDPP8FAPDPP9
SCHEMBL21052968 1.00 DPP4 (0.39) DPP4ARDPP8FAPDPP9
SCHEMBL20002184 1.00 DPP4 (0.39) DPP4ARDPP8FAPDPP9
SCHEMBL19995995 1.00 DPP4 (0.39) DPP4ARDPP8FAPDPP9
SCHEMBL20002702 0.84 DPP4 (0.41) DPP4ARDPP8FAPDPP9
SCHEMBL20002704 0.84 DPP4 (0.41) DPP4ARDPP8FAPDPP9
SCHEMBL1830059 0.82 HTRA1 (0.49) DPP4ARHTRA1TACR1NR1H2
SCHEMBL1830060 0.82 HTRA1 (0.49) DPP4ARHTRA1TACR1NR1H2
SCHEMBL23454767 0.82 CYP1A2 (0.38) DPP4HTRA1TACR1NR1H2NR1H3
SCHEMBL21136402 0.82 CYP1A2 (0.38) DPP4HTRA1TACR1NR1H2NR1H3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138795-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL PORTELA & CA SA (PT) 2023-05-04 — — US disclosed
US-20230138795-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL PORTELA & CA SA (PT) 2023-05-04 — — US disclosed
US-20230138795-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL PORTELA & CA SA (PT) 2023-05-04 — — US disclosed
US-11434242-B2 Dopamine-b-hydroxylase inhibitors BIAL—PORTELA & CA, S.A. (PT) 2022-09-06 — — US disclosed
US-20210171528-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & CA, S.A. (PT) 2021-06-10 — — US disclosed
US-20210171528-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & CA, S.A. (PT) 2021-06-10 — — US disclosed
CN-111479812-A dopamine-B-hydroxylase inhibitors 巴尔-波特拉及康邦亚股份有限公司 2020-07-31 — — CN disclosed
WO-2019112457-A1 DOPAMINE-Β-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2019-06-13 — — 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 (3 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-11434242-B2 Dopamine-b-hydroxylase inhibitors DBH, MAOB, COMT DPP4 972/4885AR 1885/4885DPP8 1635/4885
US-20230138795-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, COMT DPP4 1072/4885AR 2049/4885DPP8 1771/4885
US-20210171528-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, COMT DPP4 972/4885AR 1885/4885DPP8 1635/4885

“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.