SCHEMBL18873643

SCHEMBL18873643

CCN1C[C@H]2C[C@@H]1CN2C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.38
GAA P10253 1/20 0.32
CHRNA7 P36544 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL13661741 1.00 HSD11B1 (0.38) HSD11B1GAACHRNA7KCNH2
SCHEMBL20758623 1.00 HSD11B1 (0.38) HSD11B1GAACHRNA7KCNH2
SCHEMBL20757950 1.00 HSD11B1 (0.38) HSD11B1GAACHRNA7KCNH2
SCHEMBL18513254 1.00 HSD11B1 (0.38) HSD11B1GAACHRNA7KCNH2
SCHEMBL178770 1.00 HSD11B1 (0.38) HSD11B1GAACHRNA7KCNH2
SCHEMBL18874061 0.87 GAA (0.38) GAA
SCHEMBL13662010 0.87 GAA (0.38) GAA
SCHEMBL12716569 0.84 GAA (0.37) HSD11B1GAACHRNA7KCNH2
SCHEMBL22493222 0.84 GAA (0.37) HSD11B1GAACHRNA7KCNH2
SCHEMBL30393348 0.84 GAA (0.37) HSD11B1GAACHRNA7KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024141757-A1 LSD1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2024-07-04 WO disclosed
WO-2023109892-A1 COMPOUND FOR INHIBITING OR DEGRADING BRD9, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 海思科医药集团股份有限公司 2023-06-22 WO disclosed
US-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES USHER III INITIATIVE, INC. 2023-05-18 US disclosed
US-20230118688-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-20 US disclosed
US-20230122249-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-04-20 US disclosed
WO-2022090481-A1 SUBSTITUTED 1H-PYRAZOLO[4,3-C]PYRIDINES AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-05 WO disclosed
WO-2021154665-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-05 WO disclosed
WO-2021154661-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-05 WO disclosed
US-10307422-B2 Pyrazolopyridazines and methods for treating retinal-degenerative diseases and hearing loss associated with usher syndrome USHER III INITIATIVE, INC. (US) 2019-06-04 US disclosed
US-20180207159-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME BIOFOCUS DPI LTD. (GB) 2018-07-26 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 US disclosed
EP-2350083-B1 PYRIMIDO[5,4-D]PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-17 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 (6 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-20180207159-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME ALDH1A2, ALDH1A3, NR2E3 HSD11B1 2316/4885GAA 3653/4885CHRNA7 1905/4885
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BRD9, BRD1, BRD2 HSD11B1 2091/4885GAA 4237/4885CHRNA7 837/4885
US-10307422-B2 Pyrazolopyridazines and methods for treating retinal-degenerative diseases and hearing loss associated with usher syndrome ALDH1A2, ALDH1A3, NR2E3 HSD11B1 2316/4885GAA 3653/4885CHRNA7 1905/4885
US-20230118688-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR1, TLR9 HSD11B1 4548/4885GAA 3731/4885CHRNA7 1087/4885
US-20230122249-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 HSD11B1 4552/4885GAA 3640/4885CHRNA7 1095/4885
US-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES TNF, HLA-DRB1, GSTK1 HSD11B1 1492/4885GAA 1501/4885CHRNA7 4211/4885

“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.