SCHEMBL1106515

SCHEMBL1106515

CC(C)N1CCCN(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
PER2 O15055 4/20 0.34
CRY2 Q49AN0 2/20 0.34
ALDH1A1 P00352 1/20 0.32
INMT O95050 2/20 0.31
MAPT P10636 1/20 0.31
PIK3CD O00329 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
SCHEMBL24687997 0.95 BRD4 (0.39) BRD4BRD2PER2CRY2ALDH1A1
SCHEMBL1106520 0.86 PIK3CD (0.36) BRD4BRD2PER2CRY2ALDH1A1
SCHEMBL8089482 0.85 PER2 (0.37) PER2CRY2ALDH1A1MAPTPIK3CD
SCHEMBL12129109 0.78 BRD4 (0.31) BRD4BRD2PER2
SCHEMBL82580 0.77
SCHEMBL3360548 0.75 RAB9A (0.39) BRD4BRD2PER2
SCHEMBL596921 0.75 PER2 (0.38) PER2CRY2ALDH1A1MAPTPIK3CD
Fluoride SCHEMBL20741987 0.75 BRD4 (0.50) BRD4BRD2PER2CRY2INMT
Bromide SCHEMBL7186245 0.75 BRD4 (0.50) BRD4BRD2PER2CRY2INMT
SCHEMBL916157 0.75 BRD4 (0.50) BRD4BRD2PER2CRY2INMT

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374035-A1 RAS INHIBITORS Revolution Medicines, Inc. 2023-11-23 US disclosed
EP-4249480-A1 DIPHENYLPYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Northwest A&F University (CN) 2023-09-27 EP disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-20230226186-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-20 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-11690915-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-07-04 US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 US disclosed
US-20220411429-A1 CONDENSED PYRIDAZINE OR PYRIMIDINE AS BTK INHIBITORS BIOGEN MA INC. 2022-12-29 US disclosed
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-12-22 US disclosed
US-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-20080287440-A1 Novel Antifungal Triazole Derivatives DAEWOONG PHARMACEUTIDCAL CO., LTD. (KR) 2008-11-20 US disclosed
US-7449485-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES INC. (US) 2008-11-11 US disclosed
US-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-06-19 US disclosed
US-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-06-19 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-7358251-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2008-04-15 US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 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 (12 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-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS BAX, BCL2, BAD BRD4 1896/4885BRD2 2335/4885PER2 1821/4885
US-20070185092-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 BRD4 4267/4885BRD2 4649/4885PER2 4213/4885
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL BRD4 2921/4885BRD2 2802/4885PER2 3861/4885
US-11690915-B2 Ras inhibitors KRAS, NRAS, HRAS BRD4 890/4885BRD2 1657/4885PER2 3924/4885
US-20230226186-A1 RAS INHIBITORS KRAS, NRAS, HRAS BRD4 890/4885BRD2 1657/4885PER2 3924/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR BRD4 939/4885BRD2 722/4885PER2 2442/4885
US-20220411429-A1 CONDENSED PYRIDAZINE OR PYRIMIDINE AS BTK INHIBITORS BTK, CDK2, SYK BRD4 68/4885BRD2 108/4885PER2 3713/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL BRD4 2921/4885BRD2 2802/4885PER2 3861/4885
US-20080287440-A1 Novel Antifungal Triazole Derivatives CYP51A1, ERG28, CYP3A43 BRD4 3238/4885BRD2 2885/4885PER2 4559/4885
US-20230374035-A1 RAS INHIBITORS KRAS, NRAS, HRAS BRD4 890/4885BRD2 1657/4885PER2 3924/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 BRD4 3374/4885BRD2 2684/4885PER2 916/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV BRD4 3186/4885BRD2 2765/4885PER2 3696/4885

“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.