Sugi Predict

Sugi Predict / Compounds / SCHEMBL2244435

SCHEMBL2244435

SCHEMBL2244435

COc1cccc2c3c([nH]c12)CCNC3

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.61
▸ PNMT P11086 1/20 0.56
▸ PARP1 P09874 2/20 0.50
▸ NISCH Q9Y2I1 1/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ NQO2 P16083 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ MCL1 Q07820 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
SCHEMBL30740853 0.88 NISCH (0.62) TAAR1PNMTNISCHNQO2KMT2A
SCHEMBL2241416 0.85 TAAR1 (0.57) TAAR1PNMTPARP1NISCHSIRT2
SCHEMBL2244011 0.83 TAAR1 (0.58) TAAR1PNMTPARP1NISCHSIRT2
SCHEMBL14563133 0.80 TAAR1 (0.52) TAAR1PNMTPARP1NISCHSIRT2
SCHEMBL21154445 0.80 TAAR1 (0.66) TAAR1PARP1NISCHSIRT2KMT2A
SCHEMBL11754582 0.80 GFER (0.54) PARP1NQO2KMT2AHPGDKDM4E
SCHEMBL31020998 0.80 TAAR1 (0.66) TAAR1PARP1NISCHSIRT2KMT2A
SCHEMBL2244233 0.79 TAAR1 (0.51) TAAR1PNMTPARP1NISCHSIRT2
SCHEMBL14563132 0.79 TAAR1 (0.51) TAAR1PNMTPARP1NISCHSIRT2
Hydrochloric Acid SCHEMBL1841812 0.79 TAAR1 (0.68) TAAR1PARP1NISCHSIRT2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2023-11-14 — — US disclosed
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2023-11-14 — — US disclosed
US-20200148679-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2020-05-14 — — US disclosed
US-10633383-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2020-04-28 — — US disclosed
WO-2019134978-A1 1, 3, 4, 5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER'S DISEASE AC IMMUNE SA (CH) 2019-07-11 — — WO disclosed
US-20190211012-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2019-07-11 — — US disclosed
EP-2170879-B1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2013-01-16 — — EP disclosed
EP-2170879-B1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2013-01-16 — — EP disclosed
US-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 — — US disclosed
US-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 — — US disclosed
US-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 — — US disclosed
WO-2009001129-A9 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2010-02-04 — — WO disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 — — US disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 — — US disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 — — US disclosed
WO-2009001129-A1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 — — 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 (5 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-20190211012-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, MAP1LC3B TAAR1 2056/4885PNMT 481/4885PARP1 2974/4885
US-10633383-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, TUBB3 TAAR1 2296/4885PNMT 276/4885PARP1 2941/4885
US-20200148679-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, MAP1LC3B TAAR1 2056/4885PNMT 481/4885PARP1 2974/4885
US-20090012077-A1 Novel Compound - 827 CTSS, CTSF, CTSB TAAR1 4785/4885PNMT 4726/4885PARP1 3099/4885
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, TUBB3 TAAR1 2296/4885PNMT 276/4885PARP1 2941/4885

“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.