Sugi Predict

Sugi Predict / Compounds / SCHEMBL1971780

SCHEMBL1971780

SCHEMBL1971780

C=CCN[C@@H]1CCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.62
▸ MAOA P21397 4/20 0.58
▸ MAOB P27338 4/20 0.58
▸ BCHE P06276 1/20 0.58
▸ ADRA2B P18089 1/20 0.58
▸ ADRA2C P18825 1/20 0.58
▸ ACHE P22303 1/20 0.58
▸ ADRA1A P35348 1/20 0.58
▸ HTR6 P50406 1/20 0.58
▸ PDPK1 O15530 1/20 0.54
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ SIGMAR1 Q99720 3/20 0.46
▸ SLC18A3 Q16572 1/20 0.44
▸ KDM1A O60341 1/20 0.44
▸ FADS1 O60427 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43

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
SCHEMBL31046300 1.00 HTR1A (0.62) HTR1AMAOAMAOBBCHEADRA2B
SCHEMBL1969755 1.00 HTR1A (0.62) HTR1AMAOAMAOBBCHEADRA2B
Oxalic Acid SCHEMBL1974437 0.91 HTR1A (0.54) HTR1AMAOAMAOBBCHEADRA2B
Oxalic Acid SCHEMBL1968009 0.91 HTR1A (0.54) HTR1AMAOAMAOBBCHEADRA2B
SCHEMBL361398 0.90 HTR1A (0.56) HTR1AMAOAMAOBBCHEADRA2B
Cadaverine Tartrate SCHEMBL6521196 0.87 HTR1A (0.50) HTR1AMAOAMAOBBCHEADRA2B
Cadaverine Tartrate SCHEMBL1971585 0.87 HTR1A (0.50) HTR1AMAOAMAOBBCHEADRA2B
SCHEMBL7538877 0.83 SIGMAR1 (0.55) HTR1AMAOAMAOBBCHEADRA2B
SCHEMBL3890758 0.81 MAOA (0.55) HTR1AMAOAMAOBBCHEADRA2B
SCHEMBL13618846 0.81 MAOA (0.55) HTR1AMAOAMAOBBCHEADRA2B

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-113045456-B Novel rasagiline impurity compound and preparation method and application thereof 上海奥博生物医药股份有限公司 2024-06-18 — — CN claimed
CN-113045456-A New rasagiline impurity compound and preparation method and application thereof 上海奥博生物医药技术有限公司 2021-06-29 — — CN claimed
CN-113045456-B Novel rasagiline impurity compound and preparation method and application thereof 上海奥博生物医药股份有限公司 2024-06-18 — — CN disclosed
CN-113045456-A New rasagiline impurity compound and preparation method and application thereof 上海奥博生物医药技术有限公司 2021-06-29 — — CN disclosed
US-8552023-B2 Non-amidic linkers with branched termini as CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-10-08 — — US disclosed
US-8552023-B2 Non-amidic linkers with branched termini as CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-10-08 — — US disclosed
EP-2326176-B1 NON-AMIDIC LINKERS WITH BRANCHED TERMINI AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-09-18 — — EP disclosed
US-8461388-B2 Process for the synthesis of propargylated aminoindan derivatives CIPLA LIMITED (IN) 2013-06-11 — — US disclosed
US-8461388-B2 Process for the synthesis of propargylated aminoindan derivatives CIPLA LIMITED (IN) 2013-06-11 — — US disclosed
US-8461388-B2 Process for the synthesis of propargylated aminoindan derivatives CIPLA LIMITED (IN) 2013-06-11 — — US disclosed
US-20110190329-A1 NON-AMIDIC LINKERS WITH BRANCHED TERMINI AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-08-04 — — US disclosed
EP-2231582-B1 PROCESS FOR THE SYNTHESIS OF PROPARGYLATED AMINOINDAN DERIVATIVES CIPLA LTD (IN) 2011-06-22 — — EP disclosed
US-20110054218-A1 Process for the Synthesis of Propargylated Aminoindan Derivatives CIPLA LIMITED (IN) 2011-03-03 — — US disclosed
US-20110054218-A1 Process for the Synthesis of Propargylated Aminoindan Derivatives CIPLA LIMITED (IN) 2011-03-03 — — US disclosed
US-20110054218-A1 Process for the Synthesis of Propargylated Aminoindan Derivatives CIPLA LIMITED (IN) 2011-03-03 — — US disclosed
WO-2010021864-A1 NON-AMIDIC LINKERS WITH BRANCHED TERMINI AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-02-25 — — WO disclosed
US-7619117-B1 Rasagiline formulations and processes for their preparation TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2009-11-17 — — US disclosed
US-7598420-B1 Rasagiline formulations and processes for their preparation TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2009-10-06 — — US disclosed
US-7572834-B1 Rasagiline formulations and processes for their preparation TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2009-08-11 — — US disclosed
WO-2009081148-A1 PROCESS FOR THE SYNTHESIS OF PROPARGYLATED AMINOINDAN DERIVATIVES CIPLA LIMITED (IN) 2009-07-02 — — 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 (2 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-20110054218-A1 Process for the Synthesis of Propargylated Aminoindan Derivatives DAO, DDC, HRH2 HTR1A 402/4885MAOA 811/4885MAOB 549/4885
US-20110190329-A1 NON-AMIDIC LINKERS WITH BRANCHED TERMINI AS CGRP RECEPTOR ANTAGONISTS CALCRL, GRPR, CCKBR HTR1A 176/4885MAOA 884/4885MAOB 821/4885

“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.