SCHEMBL29699369

SCHEMBL29699369

Cc1cccc(N2CCNCC2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 1.00
HTR1A P08908 5/20 0.67
HTR3A P46098 5/20 0.67
CYP1A2 P05177 3/20 0.67
CYP2D6 P10635 3/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2C9 P11712 2/20 0.67
HTR7 P34969 2/20 0.64
ALDH1A1 P00352 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TSHR P16473 2/20 0.54
MAPK1 P28482 1/20 0.54
HTR6 P50406 4/20 0.54
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
NCF1 P14598 1/20 0.53
NFKB1 P19838 1/20 0.53
HTR1D P28221 1/20 0.53

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
SCHEMBL218837 1.00 ADRB1 (1.00) ADRB1HTR1AHTR3ACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL27850954 0.98 ADRB1 (0.96) ADRB1HTR1AHTR3ACYP1A2CYP2D6
Piperazine SCHEMBL27593403 0.98 ADRB1 (0.96) ADRB1HTR1AHTR3ACYP1A2CYP2D6
Iodide SCHEMBL11457680 0.98 ADRB1 (0.96) ADRB1HTR1AHTR3ACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL1894847 0.98 ADRB1 (0.96) ADRB1HTR1AHTR3ACYP1A2CYP2D6
SCHEMBL9310335 0.93 ADRB1 (0.87) ADRB1HTR1AHTR3ACYP1A2CYP2D6
SCHEMBL7487422 0.90 ADRB1 (0.81) ADRB1HTR1AHTR3ACYP1A2CYP2D6
SCHEMBL27868178 0.90 ADRB1 (0.81) ADRB1HTR1AHTR3ACYP1A2CYP2D6
SCHEMBL11067105 0.86 ADRB1 (0.74) ADRB1ALDH1A1NPSR1TSHRMAPK1
SCHEMBL7979300 0.85 ADRB1 (0.74) ADRB1HTR1AHTR3ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112831206-B Inorganic oxide dispersion with controllable water content and preparation method thereof 凯斯科技股份有限公司 2022-12-30 CN claimed
WO-2026102161-A1 METHODS OF TREATING OVARIAN AND PANCREATIC CANCER CONCARLO THERAPEUTICS, INC. (US) 2026-05-15 WO disclosed
EP-4712963-A2 SMALL MOLECULE INHIBITORS OF P27 Concarlo Therapeutics, Inc. (US) 2026-03-25 EP disclosed
WO-2024238709-A2 SMALL MOLECULE INHIBITORS OF P27 CONCARLO THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed
CN-112204017-B Benzisoxazole compounds 国立大学法人大阪大学 2024-08-20 CN disclosed
CN-117769545-A Tri-fused ring derivative-containing regulator, preparation method and application thereof 上海枢境生物科技有限公司 2024-03-26 CN disclosed
EP-4247895-A1 POLY ACRYLATE AND POLY(BETA-ESTER) CAPSULES WITH ENHANCED DEGRADABILITY Encapsys, LLC (US) 2023-09-27 EP disclosed
US-11718588-B2 5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS inhibitors for the treatment of osteoarthritis GALAPAGOS NV (BE) 2023-08-08 US disclosed
CN-112831206-B Inorganic oxide dispersion with controllable water content and preparation method thereof 凯斯科技股份有限公司 2022-12-30 CN disclosed
CN-115397818-A Aminopyrimidine derivatives and their use as modulators of arene receptors 东亚ST株式会社 2022-11-25 CN disclosed
WO-2022109112-A1 POLY ACRYLATE AND POLY(BETA-ESTER) CAPSULES WITH ENHANCED DEGRADABILITY ENCAPSYS, LLC (US) 2022-05-27 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-11718588-B2 5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS inhibitors for the treatment of osteoarthritis ADAMTS1, ADAMTS5, ADAMTS7 ADRB1 3478/4885HTR1A 1316/4885HTR3A 1477/4885

“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.