SCHEMBL21154445

SCHEMBL21154445

Cc1cccc2c3c([nH]c12)CCNC3

nearest known ligand 0.97

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.66
PARP1 P09874 2/20 0.54
NISCH Q9Y2I1 2/20 0.51
SIRT2 Q8IXJ6 1/20 0.50
AHR P35869 1/20 0.43
MAPK10 P53779 1/20 0.43
RIPK1 Q13546 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
KIF11 P52732 1/20 0.42
RAD52 P43351 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTR5A P47898 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
GFER P55789 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL31020998 1.00 TAAR1 (0.66) TAAR1PARP1NISCHSIRT2AHR
Hydrochloric Acid SCHEMBL1841812 0.98 TAAR1 (0.68) TAAR1PARP1NISCHSIRT2AHR
SCHEMBL2972622 0.87 NISCH (0.68) TAAR1NISCHAHRMAPK10RIPK1
Hydrochloric Acid SCHEMBL9615116 0.86 NISCH (0.66) TAAR1NISCHAHRMAPK10RIPK1
SCHEMBL24222406 0.82 TAAR1 (0.68) TAAR1PARP1NISCHSIRT2HTR2A
SCHEMBL14581529 0.81 TAAR1 (0.54) TAAR1PARP1NISCHSIRT2HTR2A
SCHEMBL1991623 0.81 NISCH (0.77) TAAR1PARP1NISCHSIRT2HTR2A
SCHEMBL2247036 0.81 TAAR1 (0.66) TAAR1PARP1NISCHSIRT2MAPK10
SCHEMBL2246257 0.81 TAAR1 (0.97) TAAR1PARP1NISCHSIRT2HTR2A
SCHEMBL1841963 0.81 TAAR1 (0.66) TAAR1PARP1NISCHSIRT2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3735411-B1 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) 2024-07-10 EP 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-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2023-11-14 US disclosed
EP-3820867-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-09-13 EP disclosed
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2021-09-23 US disclosed
WO-2020131911-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. (US) 2020-06-25 WO disclosed
WO-2020131895-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. (US) 2020-06-25 WO disclosed
WO-2020112941-A2 SOLID STATE FORMS OF LUMATEPERONE SALTS AND PROCESSES FOR PREPARATION OF LUMATEPERONE AND SALTS THEREOF TEVA CZECH INDUSTRIES S.R.O (CZ) 2020-06-04 WO 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-2020012427-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2020-01-16 WO 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

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 2056/4885PARP1 2974/4885NISCH 4728/4885
US-10633383-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, TUBB3 TAAR1 2296/4885PARP1 2941/4885NISCH 4566/4885
US-20200148679-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, MAP1LC3B TAAR1 2056/4885PARP1 2974/4885NISCH 4728/4885
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 TAAR1 3882/4885PARP1 4847/4885NISCH 386/4885
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, TUBB3 TAAR1 2296/4885PARP1 2941/4885NISCH 4566/4885

“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.