SCHEMBL488433

SCHEMBL488433

C1CN[C@@H](CN2CCCC2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.45
HTR2A P28223 2/20 0.45
KCNH2 Q12809 2/20 0.45
HTR1D P28221 1/20 0.45
HRH1 P35367 1/20 0.45
ADRA1B P35368 1/20 0.45
CHRM5 P08912 2/20 0.43
ADRA2C P18825 2/20 0.43
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
ARG1 P05089 3/20 0.36
ARG2 P78540 1/20 0.36
CYP2D6 P10635 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 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
SCHEMBL255277 1.00 HTR1A (0.45) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL488775 1.00 HTR1A (0.45) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL16716869 1.00 HTR1A (0.45) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL5219148 0.98 CHRM5 (0.46) HTR1AHTR2AKCNH2HTR1DHRH1
Hydrochloric Acid SCHEMBL18424980 0.98 HTR1A (0.44) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL10326492 0.98 CHRM5 (0.46) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL10326687 0.98 CHRM5 (0.46) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL13620120 0.98 CHRM5 (0.46) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL1995891 0.98 CHRM5 (0.46) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL2387767 0.98 CHRM5 (0.46) HTR1AHTR2AKCNH2HTR1DHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2023-02-02 US disclosed
US-20220402916-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. 2022-12-22 US disclosed
US-20220402916-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. 2022-12-22 US disclosed
EP-4059932-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2022-09-21 EP disclosed
EP-3354650-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2022-02-16 EP disclosed
EP-3896058-A2 ENANTIONSELECTIVE PROCESSES TO INSECTICIDAL 3-ARYL-3-TRIFLUOROMETHYL-SUBSTITUTED PYRROLIDINES SYNGENTA PARTICIPATIONS AG (CH) 2021-10-20 EP disclosed
EP-2763963-B1 ENANTIONSELECTIVE PROCESSES TO INSECTICIDAL 3-ARYL-3-TRIFLUOROMETHYL-SUBSTITUTED PYRROLIDINES SYNGENTA PARTICIPATIONS AG (CH) 2021-05-26 EP disclosed
US-10961232-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-03-30 US disclosed
WO-2021055728-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2021-03-25 WO disclosed
WO-2021055728-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2021-03-25 WO disclosed
US-6642232-B2 Antitumor agents SUGEN, INC. 2003-11-04 US disclosed
US-6599902-B2 For treating or preventing a protein kinase related disorder SUGEN, INC. 2003-07-29 US disclosed
US-20030130235-A1 3-[4-Substituted heterocyclyl)-pyrrol-2-ylmethylidene]-2- indolinone derivatives as kinase inhibitors SUGEN, INC. 2003-07-10 US disclosed
US-20030130280-A1 Treatment of acute myeloid leukemia with indolinone compounds SUGEN, INC. 2003-07-10 US disclosed
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. 2003-07-03 US disclosed
WO-2003031438-A1 3-[4-(SUBSTITUTED HETEROCYCLYL)-PYRROL-2-YLMETHYLIDENE]-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2003-04-17 WO disclosed
WO-2002096361-A2 5-ARALKYLSULFONYL-3- (PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2002-12-05 WO disclosed
WO-2002076925-A2 NON-IMIDAZOLE ARYL ALKYLAMINES COMPOUNDS AS HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2002-10-03 WO disclosed
US-6407103-B2 POTENT ENZYME INHIBITORS OF CYCLIN-DEPENDENT KINASES RELATING TO THE CATALYTIC SUBUNITS CDK1-9 AND THEIR REGULATORY SUBUNITS CYCLINS A-H; ANTIPROLIFERATIVE, -CARCINOGENIC AND -TUMOR AGENTS; VIRICIDES; MODULATORS OF DNA/RNA BIOSYNTHESIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-18 US disclosed
US-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses DUPONT PHARMACEUTICALS COMPANY 2001-10-04 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 (7 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-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses CDK1, CCNA1, CDK19 HTR1A 3213/4885HTR2A 4429/4885KCNH2 2403/4885
US-10961232-B2 Substituted pyrazines as ATR kinase inhibitors ATR, MAP3K5, CHEK1 HTR1A 4091/4885HTR2A 3601/4885KCNH2 2661/4885
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 HTR1A 4357/4885HTR2A 4087/4885KCNH2 2838/4885
US-20030130280-A1 Treatment of acute myeloid leukemia with indolinone compounds FLT3, FLI1, MCL1 HTR1A 762/4885HTR2A 965/4885KCNH2 2504/4885
US-20030130235-A1 3-[4-Substituted heterocyclyl)-pyrrol-2-ylmethylidene]-2- indolinone derivatives as kinase inhibitors PDGFRB, PDGFRA, KDR HTR1A 839/4885HTR2A 714/4885KCNH2 2402/4885
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS DMPK, ADK, MAP3K20 HTR1A 1213/4885HTR2A 1040/4885KCNH2 2451/4885
US-20220402916-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT KRAS, NRAS, HRAS HTR1A 4436/4885HTR2A 4417/4885KCNH2 987/4885

“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.