SCHEMBL21154548

SCHEMBL21154548

Brc1ccc2cc(N3CCOCC3)ncc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
CNR2 P34972 5/20 0.42
ALDH1A1 P00352 7/20 0.41
CYP1A2 P05177 2/20 0.41
MAPT P10636 2/20 0.41
CYP2C9 P11712 2/20 0.41
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PIK3CA P42336 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AKR1C3 P42330 1/20 0.40
LRRK2 Q5S007 2/20 0.40

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
SCHEMBL20309528 0.77 MAPK1 (0.45) ALDH1A1CYP1A2MAPTCYP2C9HPGD
SCHEMBL19879566 0.76 KDM4E (0.49) CYP2C19ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL1110318 0.74 CNR2 (0.47) CYP2C19CNR2ALDH1A1CYP1A2MAPT
SCHEMBL21154005 0.73 CNR2 (0.48) CNR2ALDH1A1CYP1A2MAPTHPGD
SCHEMBL30878028 0.72 SOS1 (0.48) CNR2ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL21404454 0.72 SOS1 (0.48) CNR2ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL17679754 0.72 KMT2A (0.43) CYP2C19CNR2ALDH1A1CYP1A2MAPT
SCHEMBL23247804 0.72 SMN1; SMN2 (0.44) CYP2C19CNR2ALDH1A1CYP1A2MAPT
SCHEMBL14479291 0.72 CNR2 (0.56) CNR2ALDH1A1CYP1A2MAPTSMN1; SMN2
SCHEMBL31678599 0.71 ALDH1A1 (0.47) CYP2C19CNR2ALDH1A1CYP1A2MAPT

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 4 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
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

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-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, TUBB3 CYP2C19 4885/4885CNR2 3704/4885ALDH1A1 3080/4885

“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.