SCHEMBL23859933

SCHEMBL23859933

Brc1ccc2c3c(cccc13)CN(Cc1ccccc1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 4/20 0.49
CYP1A2 P05177 2/20 0.46
SIGMAR1 Q99720 5/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
TMEM97 Q5BJF2 2/20 0.42
DRD4 P21917 2/20 0.42
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
HTR5A P47898 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MC4R P32245 1/20 0.40
KCNH2 Q12809 2/20 0.40
HDAC1 Q13547 1/20 0.40
DRD3 P35462 2/20 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
SCHEMBL29532429 1.00 CYP1B1 (0.49) CYP1B1CYP1A2SIGMAR1ADRA2AADRA2B
SCHEMBL8450698 0.80 SIGMAR1 (0.58) CYP1A2SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL629986 0.80 SIGMAR1 (0.46) CYP1A2SIGMAR1ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL2490663 0.78 SIGMAR1 (0.44) CYP1A2SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL6672942 0.76 SIGMAR1 (0.62) CYP1A2SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL25426896 0.75 ALDH1A1 (0.50) CYP1B1CYP1A2SIGMAR1DRD3DRD2
Hydrochloric Acid SCHEMBL16713355 0.74 SIGMAR1 (0.60) CYP1A2SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL17618300 0.72 SIGMAR1 (0.50) CYP1A2SIGMAR1ADRA2AADRA2BADRA2C
Bicarbonate SCHEMBL3912775 0.71 ACACB (0.47) SIGMAR1KCNH2HDAC1BACE1ALDH1A1
SCHEMBL3872119 0.71 SIGMAR1 (0.55) CYP1A2SIGMAR1ADRA2AADRA2BADRA2C

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
EP-4314774-A1 METHOD OF DETECTION The University of Queensland (AU) 2024-02-07 EP disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2023-11-23 US disclosed
US-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2023-11-23 US disclosed
US-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2023-11-23 US disclosed
CN-116723839-A Tricyclic heterobifunctional compounds for degrading target proteins C4医药公司 2023-09-08 CN disclosed
CN-116457339-A Tricyclic compounds degrading novel substrates for medical treatment C4医药公司 2023-07-18 CN disclosed
WO-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
WO-2022081928-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
WO-2021189112-A1 METHOD OF DETECTION THE UNIVERSITY OF QUEENSLAND (AU) 2021-09-30 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 (2 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-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS CRBN, CDR2, MDM2 CYP1B1 1951/4885CYP1A2 3440/4885SIGMAR1 3709/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 CYP1B1 1691/4885CYP1A2 2070/4885SIGMAR1 3709/4885

“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.