SCHEMBL18359160

SCHEMBL18359160

CCc1ccc2c(c1)N(C)CCN2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
SRD5A1 P18405 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
NOTUM Q6P988 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
DRD3 P35462 1/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL19707998 0.84 SRD5A1 (0.33) TRPA1SRD5A1CYP1A2CYP2A6POLB
SCHEMBL113802 0.82 KDM4E (0.41) CYP2A6NOTUMALDH1A1KDM4EDRD2
SCHEMBL11893058 0.79 NOTUM (0.41) TRPA1SRD5A1NOTUMALDH1A1SMN1; SMN2
SCHEMBL13203632 0.79 SRD5A1 (0.49) SRD5A1CYP1A2NOTUMALDH1A1SMN1; SMN2
SCHEMBL763146 0.76 ALDH1A1 (0.44) SRD5A1ALDH1A1SMN1; SMN2KDM4EHTR2C
SCHEMBL5714026 0.76 SRD5A1 (0.35) TRPA1SRD5A1CYP1A2CYP2A6POLB
SCHEMBL2633104 0.76 PKM (0.42) NOTUMALDH1A1HTTRAB9ANPC1
SCHEMBL763105 0.76 ALDH1A1 (0.55) SRD5A1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL19908676 0.75 HTR2A (0.36) SRD5A1POLBHTR1ADRD2DRD4
SCHEMBL23469128 0.74 PARP1 (0.39) TRPA1SRD5A1CYP1A2CYP2A6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
WO-2021115489-A1 NOVEL HETEROCYCLIC DERIVATIVES WITH CARDIOMYOCYTE PROLIFERATION ACTIVITY FOR TREATMENT OF HEART DISEASES TONGJI UNIVERSITY (CN) 2021-06-17 WO disclosed
WO-2021114314-A1 NOVEL HETEROCYCLIC DERIVATIVES WITH CARDIOMYOCYTE PROLIFERATION ACTIVITY FOR TREATMENT OF HEART DISEASES TONGJI UNIVERSITY (CN) 2021-06-17 WO disclosed
US-11034680-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-06-15 US disclosed
US-20190152960-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-05-23 US disclosed
EP-2638014-B1 N-SULFONYLATED TETRAHYDROQUINOLINES AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF ROR-GAMMA ACTIVITY AND THE TREATMENT OF DISEASES LYCERA CORP (US) 2017-01-04 EP 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-20190152960-A1 Apoptosis Inhibitors BAX, SDHA, SDHB TRPA1 3751/4885SRD5A1 232/4885CYP1A2 1186/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB TRPA1 3751/4885SRD5A1 232/4885CYP1A2 1186/4885
US-11034680-B2 Apoptosis inhibitors BAX, SDHA, SDHB TRPA1 3751/4885SRD5A1 232/4885CYP1A2 1186/4885

“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.