Sugi Predict

Sugi Predict / Compounds / SCHEMBL1773267

SCHEMBL1773267

SCHEMBL1773267

COCN(C[Si](C)(C)C)[C@H](C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ HTR2A P28223 4/20 0.34
▸ HRH1 P35367 4/20 0.34
▸ ALOX5 P09917 3/20 0.34
▸ PKM P14618 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ TAAR1 Q96RJ0 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
SCHEMBL2206565 1.00 ADRA2A (0.36) ADRA2AADRA2BADRA2CHTR2AHRH1
SCHEMBL1773270 1.00 ADRA2A (0.36) ADRA2AADRA2BADRA2CHTR2AHRH1
SCHEMBL2010329 0.85 HTR2A (0.33) ADRA2AADRA2BADRA2CHTR2AHRH1
SCHEMBL6958572 0.79 LTA4H (0.37) MEN1KMT2AALDH1A1
SCHEMBL4716852 0.79 LTA4H (0.37) MEN1KMT2AALDH1A1
SCHEMBL13109023 0.78 SIGMAR1 (0.41) ADRA2AADRA2BADRA2CHTR2AHRH1
SCHEMBL3757647 0.77 CRHR1 (0.36) HTR2AALDH1A1
SCHEMBL2003394 0.76 KMT2A (0.45) MEN1KMT2AALDH1A1
SCHEMBL2003396 0.76 KMT2A (0.45) MEN1KMT2AALDH1A1
SCHEMBL5654541 0.76 HTR2A (0.36) ADRA2AADRA2BADRA2CHTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872508-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2018-08-29 — — EP disclosed
EP-3268366-A1 (INDAZOL-4-YL)HEXAHYDROPYRROLOPYRROLONES AND METHOD OF USE AbbVie Inc. (US) 2018-01-17 — — EP disclosed
US-9682985-B2 (Indazol-4-yl) hexahydropyrrolopyrrolones and methods of use ABBVIE INC. (US) 2017-06-20 — — US disclosed
US-9682985-B2 (Indazol-4-yl) hexahydropyrrolopyrrolones and methods of use ABBVIE INC. (US) 2017-06-20 — — US disclosed
WO-2016149169-A1 (INDAZOL-4-YL)HEXAHYDROPYRROLOPYRROLONES AND METHOD OF USE ABBVIE INC. (US) 2016-09-22 — — WO disclosed
US-20160264582-A1 (Indazol-4-YL) Hexahydropyrrolopyrrolones and Methods of Use ABBVIE INC. (US) 2016-09-15 — — US disclosed
US-20160264582-A1 (Indazol-4-YL) Hexahydropyrrolopyrrolones and Methods of Use ABBVIE INC. (US) 2016-09-15 — — US disclosed
US-20160264582-A1 (Indazol-4-YL) Hexahydropyrrolopyrrolones and Methods of Use ABBVIE INC. (US) 2016-09-15 — — US disclosed
EP-2288613-B1 PHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2016-07-13 — — EP disclosed
US-9309243-B2 Imidazopyridine derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2016-04-12 — — US disclosed
US-20090227803-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS N.V. ORGANON 2009-09-10 — — US disclosed
WO-2009087058-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS N.V. ORGANON (NL) 2009-07-16 — — WO disclosed
EP-0942911-B1 BENZOPYRANOPYRROLE AND BENZOPYRANOPYRIDINE ALPHA-1 ADRENERGIC COMPOUNDS ABBOTT LAB (US) 2001-10-17 — — EP disclosed
US-6046207-A FOR INHIBITING ALPHA-1 ADRENORECEPTORS AND TREATING BENIGN PROSTATIC HYPERPLASIA, ALSO CALLED BENIGN PROSTATIC HYPERTROPHY, OR OTHER UROLOGICAL OR GYNECOLOGICAL DISEASES SUCH AS BLADDER OUTLET OBSTRUCTION, NEUROGENIC BLADDER ABBOTT LABORATORIES 2000-04-04 — — US disclosed
EP-0942911-A1 BENZOPYRANOPYRROLE AND BENZOPYRANOPYRIDINE ALPHA-1 ADRENERGIC COMPOUNDS Abbott Laboratories (US) 1999-09-22 — — EP disclosed
US-5891882-A TREATING BENIGN PROSTATIC HYPERPLASIA OR OTHER UROLOGICAL DISEASES SUCH AS BLADDER OUTLET OBSTRUCTION AND NEUROGENIC BLADDER, OR GYNECOLOGICAL SYNDROMES SUCH AS DYSMENORRHEA ABBOTT LABORATORIES (US) 1999-04-06 — — US disclosed
WO-1998024791-A1 BENZOPYRANOPYRROLE AND BENZOPYRANOPYRIDINE ALPHA-1 ADRENERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1998-06-11 — — WO disclosed
US-5310911-A Chiral synthesis for producing 1-azabicyclo(2.2.1)heptane-3-carboxylates COTTRELL I F 1994-05-10 — — US disclosed
US-5104989-A Chiral synthesis for producing 1-azabicyclo[2.2.1] heptane-3-carboxylates MERCK SHARP & DOHME LTD. (GB) 1992-04-14 — — US disclosed
EP-0398616-A2 Chiral synthesis for producing 1-azabicyclo[2.2.1]heptane-3-carboxylates MERCK SHARP & DOHME LTD. (GB) 1990-11-22 — — EP 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-20090227803-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS DHPS, CYP3A5, PNMT ADRA2A 103/4885ADRA2B 51/4885ADRA2C 10/4885
US-20160264582-A1 (Indazol-4-YL) Hexahydropyrrolopyrrolones and Methods of Use CACNA1D, CACNA1S, KCNJ11 ADRA2A 1044/4885ADRA2B 1538/4885ADRA2C 509/4885

“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.