Sugi Predict

Sugi Predict / Compounds / SCHEMBL9947539

SCHEMBL9947539

SCHEMBL9947539

CNCCC(Cl)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.67
▸ HRH1 P35367 4/20 0.67
▸ SLC6A4 P31645 13/20 0.53
▸ SLC6A2 P23975 7/20 0.47
▸ CYP2D6 P10635 5/20 0.47
▸ CYP1A2 P05177 4/20 0.47
▸ CYP3A4 P08684 4/20 0.47
▸ TSHR P16473 3/20 0.47
▸ SLC6A3 Q01959 3/20 0.47
▸ KCNH2 Q12809 3/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CHRM1 P11229 2/20 0.47
▸ ADRA2B P18089 2/20 0.47
▸ HTR2C P28335 2/20 0.47
▸ OPRM1 P35372 2/20 0.47
▸ DRD3 P35462 2/20 0.47
▸ OPRK1 P41145 2/20 0.47
▸ HTR2B P41595 2/20 0.47
▸ KLF10 Q13118 2/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.47

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
Hydrochloric Acid SCHEMBL2074868 0.98 HTR2A (0.64) HTR2AHRH1SLC6A4SLC6A2CYP2D6
Acrylic Acid SCHEMBL28964999 0.85 HTR2A (0.50) HTR2AHRH1SLC6A4SLC6A2CYP2D6
SCHEMBL3638413 0.80 HTR2A (1.00) HTR2AHRH1SLC6A4SLC6A2CYP2D6
SCHEMBL22042229 0.79 TSHR (0.55) HTR2AHRH1TSHR
SCHEMBL28032199 0.78 TAAR1 (0.57) HTR2AHRH1SLC6A4SLC6A2CYP2D6
Hydrochloric Acid SCHEMBL5223012 0.78 HTR2A (0.95) HTR2AHRH1SLC6A4SLC6A2CYP2D6
Hydrochloric Acid SCHEMBL27743404 0.77 TAAR1 (0.61) HTR2AHRH1SLC6A4SLC6A2CYP2D6
SCHEMBL19905186 0.77 HTR2A (0.69) HTR2AHRH1SLC6A4SLC6A2CYP2D6
SCHEMBL2471404 0.77 HTR2A (0.69) HTR2AHRH1SLC6A4SLC6A2CYP2D6
SCHEMBL14494818 0.77 HTR2A (0.69) HTR2AHRH1SLC6A4SLC6A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115702272-B Method for controlling resin during bleaching 凯米拉公司 2024-08-16 — — CN disclosed
CN-110294680-A A kind of preparation method in levels Moses spit of fland 北京深蓝海生物医药科技有限公司 2019-10-01 — — CN disclosed
US-8367868-B2 Process for the synthesis of aryloxypropylamine and heteroaryloxypropylamine ARCHIMICA S.R.L. (IT) 2013-02-05 — — US disclosed
US-8367868-B2 Process for the synthesis of aryloxypropylamine and heteroaryloxypropylamine ARCHIMICA S.R.L. (IT) 2013-02-05 — — US disclosed
EP-2077988-B1 PROCESS FOR THE SYNTHESIS OF ARYLOXYPROPYLAMINE AND HETEROARYLOXYPROPYLAMINE ARCHIMICA SRL (IT) 2012-06-13 — — EP disclosed
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 — — US disclosed
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 — — US disclosed
US-20100105942-A1 Process for the Synthesis of Aryloxypropylamine and Heteroaryloxypropylamine ARCHIMICA S.R.L. (IT) 2010-04-29 — — US disclosed
US-20100105942-A1 Process for the Synthesis of Aryloxypropylamine and Heteroaryloxypropylamine ARCHIMICA S.R.L. (IT) 2010-04-29 — — US disclosed
EP-1756054-B1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR HOFFMANN LA ROCHE (CH) 2010-03-31 — — EP disclosed
US-4780478-A Aminopropoxy-chromones useful as antidepressants MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) 1988-10-25 — — US disclosed
US-4508732-A Basic ethers useful as antidepressant agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-04-02 — — US disclosed
EP-0031885-B1 BASIC ETHERS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION MERCK PATENT GmbH (DE) 1984-06-27 — — EP disclosed
EP-0031910-B1 ANILINE DERIVATIVES, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND PROCESSES FOR THEIR PRODUCTION MERCK PATENT GmbH (DE) 1983-04-13 — — EP disclosed
US-4376123-A Hexahydroazepinyloxy-chromones useful as antidepressants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-03-08 — — US disclosed
EP-0031910-A1 Aniline derivatives, pharmaceutical preparations containing them and processes for their production MERCK PATENT GmbH (DE) 1981-07-15 — — EP disclosed
EP-0031885-A1 Basic ethers, pharmaceutical compositions containing them and process for their preparation MERCK PATENT GmbH (DE) 1981-07-15 — — EP disclosed
US-4254031-A Synthesis for the preparation of tetracyclic compounds AKZONA INCORPORATED (US) 1981-03-03 — — US disclosed
US-4217452-A Synthesis for the preparation of tetracyclic compounds AKZONA INCORPORATED (US) 1980-08-12 — — US disclosed
US-4025513-A Synthesis for the preparation of tetracyclic compounds AKZONA INCORPORATED (US) 1977-05-24 — — 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 (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-20100105942-A1 Process for the Synthesis of Aryloxypropylamine and Heteroaryloxypropylamine PNMT, NAT1, TH HTR2A 87/4885HRH1 1130/4885SLC6A4 136/4885

“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.