SCHEMBL6345121

SCHEMBL6345121

CCCCCCCCN1CC1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 6/20 0.74
GNAO1 P09471 6/20 0.74
GNAI1 P63096 6/20 0.74
KDM4E B2RXH2 2/20 0.55
GAA P10253 1/20 0.55
LMNA P02545 1/20 0.53
HRH3 Q9Y5N1 1/20 0.52
GUSB P08236 2/20 0.52
EBP Q15125 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
S1PR5 Q9H228 1/20 0.50

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
SCHEMBL7022103 1.00 GNAI3 (0.74) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL7991671 1.00 GNAI3 (0.74) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL1219079 1.00 GNAI3 (0.74) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL6566402 1.00 GNAI3 (0.74) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL18630997 1.00 GNAI3 (0.74) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL18092757 1.00 GNAI3 (0.74) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL11571907 1.00 GNAI3 (0.74) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL1043024 1.00 GNAI3 (0.74) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL1043420 1.00 GNAI3 (0.74) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL18631337 1.00 GNAI3 (0.74) GNAI3GNAO1GNAI1KDM4EGAA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6906216-B2 Process for the synthesis of N-Substituted β-amino nitriles through the ring opening of aziridines COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-06-14 US claimed
US-20040198999-A1 Process for the synthesis of N-substituted beta-amino nitriles through the ring opening of aziridines COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-10-07 US claimed
WO-2004050606-A1 PROCESS FOR THE SYNTHESIS OF N-SUBSTITUTED β-AMINO NITRILES THROUGH THE RING OPENING OF AZIRIDINES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-06-17 WO claimed
CN-104428331-B Active energy beam polymer resin composition and the laminated body for using the resin combination 东洋油墨SC控股株式会社 2019-02-15 CN disclosed
US-9549923-B2 Benzoic acid, benzoic acid derivatives and heteroaryl carboxylic acid conjugates of hydrocodone, prodrugs, methods of making and uses thereof KEMPHARM, INC. (US) 2017-01-24 US disclosed
US-6906216-B2 Process for the synthesis of N-Substituted β-amino nitriles through the ring opening of aziridines COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-06-14 US disclosed
US-20040198999-A1 Process for the synthesis of N-substituted beta-amino nitriles through the ring opening of aziridines COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-10-07 US disclosed
WO-2004050606-A1 PROCESS FOR THE SYNTHESIS OF N-SUBSTITUTED β-AMINO NITRILES THROUGH THE RING OPENING OF AZIRIDINES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-06-17 WO disclosed
US-5834407-A ANTIWEAR AND EXTREME PRESSURE OIL ADDITIVE COMPRISING HYDROCARBYL SUBSTITUTED-2-(THIO OR OXO)-1,3-DITHIOLANE, OXATHIOLANE OR THIAZOLIDINES AS SUBSTITUTE FOR ZINC DIALKYL DITHIOPHOSPHATE THE LUBRIZOL CORPORATION (US) 1998-11-10 US disclosed
EP-0825246-A2 Lubricants and functional fluids containing heterocyclic compounds The Lubrizol Corporation (US) 1998-02-25 EP disclosed
EP-0825247-A2 Compositions containing thiocarbonates and acylated-nitrogen containing compounds The Lubrizol Corporation (US) 1998-02-25 EP disclosed
US-4173580-A Production of β-haloalkylaminosulfonyl halides BASF AKTIENGESELLSCHAFT (DE) 1979-11-06 US disclosed
US-4093679-A Hydroxyalkyl or aminoalkyl esters of phospholane phosphonic and phosphinic acids BAYER AKTIENGESELLSCHAFT (DT) 1978-06-06 US disclosed
US-4014931-A FROM AZIRIDINE AND SULFURYL HALIDE BASF AKTIENGESELLSCHAFT (DT) 1977-03-29 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-20040198999-A1 Process for the synthesis of N-substituted beta-amino nitriles through the ring opening of aziridines NOS2, NOS1, NOS3 GNAI3 1569/4885GNAO1 919/4885GNAI1 1313/4885

“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.