SCHEMBL8044936

SCHEMBL8044936

C1CCN(C(N2CCCC2)N2CCCC2)C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.36
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 4/20 0.35
CYP2D6 P10635 4/20 0.35
CYP2C9 P11712 4/20 0.35
KCNA5 P22460 4/20 0.35
CYP2C19 P33261 4/20 0.35
KCNH2 Q12809 4/20 0.35
KCNE1 P15382 1/20 0.33

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
SCHEMBL1414278 0.96 FDPS (0.41) FDPSCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6413193 0.80
SCHEMBL3900432 0.67
SCHEMBL1224912 0.67 FDPS (0.33) FDPSCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3440713 0.67
SCHEMBL24496310 0.67 CHRNA7 (0.42) FDPSCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2499397 0.67 FDPS (0.33) FDPSCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL57304 0.67
SCHEMBL24233286 0.67 SMN1; SMN2 (0.40) FDPSCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19444873 0.67 DPP7 (0.36) FDPSCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975844-B2 Method for producing nitro compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-22 US disclosed
US-9822061-B2 Method for producing nitro compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-21 US disclosed
US-20170144961-A1 METHOD FOR PRODUCING NITRO COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 US disclosed
US-20170129846-A1 METHOD FOR PRODUCING NITRO COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-11 US disclosed
EP-0608725-B1 Process for preparing aminomethylene compounds BAYER AG (DE) 2000-05-17 EP disclosed
US-5401869-A Process for the preparation of aminomethylene compounds BAYER AKTIENGESELLSCHAFT (DE) 1995-03-28 US disclosed
EP-0608725-A2 Process for preparing aminomethylene compounds BAYER AG (DE) 1994-08-03 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-20170144961-A1 METHOD FOR PRODUCING NITRO COMPOUND NOS2, CYP11B2, NOS1 FDPS 400/4885CYP1A2 50/4885CYP3A4 164/4885
US-20170129846-A1 METHOD FOR PRODUCING NITRO COMPOUND NOX1, NOS1, NOX3 FDPS 2781/4885CYP1A2 27/4885CYP3A4 139/4885

“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.