SCHEMBL3495344

SCHEMBL3495344

c1cc2c3c(ccc2[nH]1)CCN3

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 12/20 0.40
HTR1B P28222 8/20 0.40
AHR P35869 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR6 P50406 1/20 0.34
PARP1 P09874 1/20 0.33
PIK3CD O00329 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL180561 0.89 HTR1D (0.39) HTR1DHTR1BAHRADRB1HTR6
SCHEMBL29168535 0.80 HTR1D (0.38) HTR1DHTR1BAHRADRB1HTR6
SCHEMBL18856176 0.76 PIK3CD (0.47) AHRADRB1HTR6PARP1PIK3CD
SCHEMBL7617146 0.70 PNMT (0.49) HTR1DHTR1B
SCHEMBL28928496 0.69 HTR1D (0.36) HTR1DHTR1BAHRADRB1HTR6
SCHEMBL7872035 0.69 NOTUM (0.44) HTR1DHTR1BAHRADRB1HTR6
SCHEMBL2321560 0.69 AURKA (0.42)
SCHEMBL2398840 0.68 AHR (0.52) HTR1DHTR1BAHRADRB1HTR6
SCHEMBL31310076 0.68 MAP2K1 (0.40) PARP1DRD2DRD4
SCHEMBL16382753 0.68 CFB (0.35) AHRPARP1DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143103-A Continuous preparation method of pyrroloindoline/furan indoline compound 浙江工业大学 2023-12-01 CN claimed
CN-112939749-A Green bromination method 香港科技大学 2021-06-11 CN claimed
EP-1412335-A4 ENANTIOSELECTIVE TRANSFORMATION OF $g(a), $g(b)-UNSATURATED ALDEHYDES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INST OF TECHN (US) 2004-11-17 EP claimed
EP-1412335-A2 ENANTIOSELECTIVE TRANSFORMATION OF $g(a), $g(b)-UNSATURATED ALDEHYDES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2004-04-28 EP claimed
US-20030109718-A1 Enantioselective transformation of alpha, beta-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-06-12 US claimed
WO-2003002491-A2 ENANTIOSELECTIVE TRANSFORMATION OF α, β-UNSATURATED ALDEHYDES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-01-09 WO claimed
CN-117143103-B Continuous preparation method of pyrroloindoline/furan indoline compound 浙江工业大学 2025-10-21 CN disclosed
CN-117143103-B Continuous preparation method of pyrroloindoline/furan indoline compound 浙江工业大学 2025-10-21 CN disclosed
US-12448398-B2 Semi-synthetic analogues of epipolythiodioxopiperazine alkaloids OHIO STATE INNOVATION FOUNDATION (US) 2025-10-21 US disclosed
US-20250084103-A1 COMPOUNDS, CONJUGATES, AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2025-03-13 US disclosed
US-12180228-B2 Compounds, conjugates, and compositions of epipolythiodiketopiperazines and polythiodiketopiperazines and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-12-31 US disclosed
CN-118894909-B Preparation method of natural cyclic peptide petrichorin C 深圳乾延药物研发科技有限公司 2024-12-20 CN disclosed
CN-118894909-A Preparation method of natural cyclic peptide petrichorin C 深圳乾延药物研发科技有限公司 2024-11-05 CN disclosed
US-6784323-B2 Enantioselective transformation of α,β-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY 2004-08-31 US disclosed
EP-1412335-A2 ENANTIOSELECTIVE TRANSFORMATION OF $g(a), $g(b)-UNSATURATED ALDEHYDES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2004-04-28 EP disclosed
US-20030220507-A1 Enantioselective transformation of alpha,beta-unsaturated ketones using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-11-27 US disclosed
WO-2003078450-A2 NEGATIVELY CHARGED MINOR GROOVE BINDERS EPOCH BIOSCIENCES, INC. (US) 2003-09-25 WO disclosed
WO-2003047740-A2 ENANTIOSELECTIVE TRANSFORMATION OF α,β-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-06-12 WO disclosed
US-20030109718-A1 Enantioselective transformation of alpha, beta-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-06-12 US disclosed
WO-2003002491-A2 ENANTIOSELECTIVE TRANSFORMATION OF α, β-UNSATURATED ALDEHYDES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-01-09 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 (5 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-20030220507-A1 Enantioselective transformation of alpha,beta-unsaturated ketones using chiral organic catalysts HACL2, EBP, MED1 HTR1D 1065/4885HTR1B 1607/4885AHR 591/4885
US-20030109718-A1 Enantioselective transformation of alpha, beta-unsaturated aldehydes using chiral organic catalysts ALDH1A1, GAR1, ALDH1B1 HTR1D 327/4885HTR1B 739/4885AHR 470/4885
US-20250084103-A1 COMPOUNDS, CONJUGATES, AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES AND USES THEREOF DNPEP, DHPS, NPEPPS HTR1D 2328/4885HTR1B 555/4885AHR 699/4885
US-12448398-B2 Semi-synthetic analogues of epipolythiodioxopiperazine alkaloids EHMT1, EHMT2, KMT5A HTR1D 3736/4885HTR1B 3663/4885AHR 1475/4885
US-12180228-B2 Compounds, conjugates, and compositions of epipolythiodiketopiperazines and polythiodiketopiperazines and uses thereof DNPEP, DHPS, NPEPPS HTR1D 2328/4885HTR1B 555/4885AHR 699/4885

“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.