Sugi Predict

Sugi Predict / Compounds / SCHEMBL611690

SCHEMBL611690

SCHEMBL611690

CN1CCC[C@H]1c1ccc(Cl)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ CHRNA7 P36544 2/20 0.56
▸ CHRNB2 P17787 2/20 0.56
▸ CHRNB4 P30926 2/20 0.56
▸ CHRNA3 P32297 2/20 0.56
▸ CHRNA4 P43681 2/20 0.56
▸ CHRNA2 Q15822 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ HTR3E A5X5Y0 1/20 0.56
▸ PSIP1 O75475 1/20 0.56
▸ TRPA1 O75762 1/20 0.56
▸ HTR3B O95264 1/20 0.56
▸ CHRNA1 P02708 1/20 0.56
▸ CHRNG P07510 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ CHRNB1 P11230 1/20 0.56
▸ CYP2A6 P11509 1/20 0.56
▸ PTGS1 P23219 1/20 0.56
▸ CHRNA5 P30532 1/20 0.56

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
SCHEMBL611691 1.00 ALDH1A1 (0.56) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3
Cyanide SCHEMBL27758187 0.95 ALDH1A1 (0.52) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3
Alcohol SCHEMBL2519662 0.93 ALDH1A1 (0.50) ALDH1A1CHRNA7LMNATDP1
SCHEMBL12209038 0.86 ALDH1A1 (0.49) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL28211542 0.85 KDM4E (0.46) —
SCHEMBL29766108 0.83 ALDH1A1 (0.64) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL30618802 0.83 ALDH1A1 (0.64) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL157172 0.82 CHRNA7 (0.62) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL29173751 0.82 CHRNA7 (0.62) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL5249340 0.82 CHRNA7 (0.62) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744804-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-05-17 — — EP disclosed
EP-2744804-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-05-17 — — EP disclosed
US-20150157708-A1 Conjugates for the Prevention or Treatment of Nicotine Addiction PFIZER VACCINES LLC (US) 2015-06-11 — — US disclosed
US-20150157708-A1 Conjugates for the Prevention or Treatment of Nicotine Addiction PFIZER VACCINES LLC (US) 2015-06-11 — — US disclosed
US-20150157708-A1 Conjugates for the Prevention or Treatment of Nicotine Addiction PFIZER VACCINES LLC (US) 2015-06-11 — — US disclosed
CN-103153984-B Inhibitors of bruton's tyrosine kinase HOFFMANN LA ROCHE 2015-04-22 — — CN disclosed
US-8980276-B2 Conjugates for the prevention or treatment of nicotine addiction PFIZER INC (US) 2015-03-17 — — US disclosed
US-8980276-B2 Conjugates for the prevention or treatment of nicotine addiction PFIZER INC (US) 2015-03-17 — — US disclosed
US-8980276-B2 Conjugates for the prevention or treatment of nicotine addiction PFIZER INC (US) 2015-03-17 — — US disclosed
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 — — US disclosed
US-20070112195-A1 REGIOSELECTIVE HALOGENATION OF NICOTINE AND SUBSTITUTED NICOTINES NORTH CAROLINA STATE UNIVERSITY 2007-05-17 — — US disclosed
US-20070112195-A1 REGIOSELECTIVE HALOGENATION OF NICOTINE AND SUBSTITUTED NICOTINES NORTH CAROLINA STATE UNIVERSITY 2007-05-17 — — US disclosed
US-7179917-B2 Regioselective halogenation of nicotine and substituted nicotines NORTH CAROLINA STATE UNIVERSITY (US) 2007-02-20 — — US disclosed
US-7179917-B2 Regioselective halogenation of nicotine and substituted nicotines NORTH CAROLINA STATE UNIVERSITY (US) 2007-02-20 — — US disclosed
EP-1265888-B1 METHOD OF PRODUCING 6-SUBSTITUTED ( S )-NICOTINE DERIVATIVES AND INTERMEDIATE COMPOUNDS INDEPENDENT PHARMACEUTICA AB (SE) 2004-08-11 — — EP disclosed
US-6747156-B2 Method of producing 6-substituted (s)-nicotine derivatives and intermediate compounds INDEPENDENT PHARMACEUTICA AB (SE) 2004-06-08 — — US disclosed
US-20030187270-A1 Method of producing 6-substituted (s)-Nicotine derivatives and intermediate compounds INDEPENDENT PHARMACEUTICA AB (SE) 2003-10-02 — — US disclosed
EP-1265888-A1 METHOD OF PRODUCING 6-SUBSTITUTED ( i S /i )-NICOTINE DERIVATIVES AND INTERMEDIATE COMPOUNDS Independent pharmaceutica AB (SE) 2002-12-18 — — EP disclosed
JP-2002145862-A METHOD FOR REMOVING BASIC IMPURITY OF 6-CHLORONICOTINE DERIVATIVE NIPPON SODA CO LTD 2002-05-22 — — JP disclosed
WO-2001070730-A1 METHOD OF PRODUCING 6-SUBSTITUTED (S)-NICOTINE DERIVATIVES AND INTERMEDIATE COMPOUNDS INDEPENDENT PHARMACEUTICA AB (SE) 2001-09-27 — — 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 (3 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-20150157708-A1 Conjugates for the Prevention or Treatment of Nicotine Addiction CHRNG, CHRND, CHRNA3 ALDH1A1 1955/4885CHRNA7 13/4885CHRNB2 8/4885
US-20030187270-A1 Method of producing 6-substituted (s)-Nicotine derivatives and intermediate compounds SMOX, SLC1A5, SLC43A1 ALDH1A1 1132/4885CHRNA7 121/4885CHRNB2 80/4885
US-20070112195-A1 REGIOSELECTIVE HALOGENATION OF NICOTINE AND SUBSTITUTED NICOTINES NAPRT, CYP1B1, NQO2 ALDH1A1 279/4885CHRNA7 24/4885CHRNB2 31/4885

“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.