SCHEMBL4073814

SCHEMBL4073814

C1CCN2CCCNC2=NC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INMT O95050 4/20 0.43
USP2 O75604 2/20 0.43
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CHKA P35790 1/20 0.37
HRH1 P35367 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 3/20 0.33
CYP1A2 P05177 1/20 0.33
NISCH Q9Y2I1 2/20 0.32
SCN9A Q15858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 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
SCHEMBL16549761 0.98 USP2 (0.47) INMTUSP2NOS3NOS1NOS2
SCHEMBL51453 0.95 INMT (0.48) INMTUSP2NOS3NOS1NOS2
SCHEMBL30645723 0.93 INMT (0.47) INMTUSP2NOS3NOS1NOS2
Bromide SCHEMBL16774554 0.93 INMT (0.47) INMTUSP2NOS3NOS1NOS2
SCHEMBL26605354 0.93 INMT (0.47) INMTUSP2NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL17867608 0.93 INMT (0.47) INMTUSP2NOS3NOS1NOS2
SCHEMBL2760503 0.93 USP2 (0.47) INMTUSP2NOS3NOS1NOS2
SCHEMBL30364285 0.93 INMT (0.47) INMTUSP2NOS3NOS1NOS2
SCHEMBL12983671 0.91 INMT (0.48) INMTUSP2NOS3NOS1NOS2
SCHEMBL8046555 0.91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082588-A1 Process for producing fluorinated carbamates and isocyanates REPSOL YPF, S.A. (ES) 2009-03-26 US claimed
EP-2036884-A1 Process for producing fluorinated isocyanates and carbamates REPSOL YPF S.A. (ES) 2009-03-18 EP claimed
US-20210147632-A1 Process for the Preparation of Polyorganosiloxanes HENKEL AG & CO. KGAA (DE) 2021-05-20 US disclosed
WO-2020020681-A1 PROCESS FOR THE PREPARATION OF POLYORGANOSILOAXNES HENKEL AG & CO. KGAA (DE) 2020-01-30 WO disclosed
EP-3599256-A1 PROCESS FOR THE PREPARATION OF POLYORGANOSILOAXNES Henkel AG & Co. KGaA (DE) 2020-01-29 EP disclosed
US-9683083-B2 Catalyst for synthesis of siloxanes MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2017-06-20 US disclosed
US-9683083-B2 Catalyst for synthesis of siloxanes MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2017-06-20 US disclosed
US-20160215097-A1 CATALYST FOR SYNTHESIS OF SILOXANES MOMENTIVE PERFORMANCE MATERIALS INC. 2016-07-28 US disclosed
US-20160215097-A1 CATALYST FOR SYNTHESIS OF SILOXANES MOMENTIVE PERFORMANCE MATERIALS INC. 2016-07-28 US disclosed
WO-2015031085-A1 CATALYST FOR SYNTHESIS OF SILOXANES MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2015-03-05 WO disclosed
US-20090082588-A1 Process for producing fluorinated carbamates and isocyanates REPSOL YPF, S.A. (ES) 2009-03-26 US disclosed
EP-2036884-A1 Process for producing fluorinated isocyanates and carbamates REPSOL YPF S.A. (ES) 2009-03-18 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 (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-20090082588-A1 Process for producing fluorinated carbamates and isocyanates SRM, CA4, PRMT3 INMT 106/4885USP2 3488/4885NOS3 167/4885

“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.