SCHEMBL6878697

SCHEMBL6878697

CN(C)CCN.CN(C)CCNc1ncc(C(=O)O)c(Oc2ccc(F)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.45
SYK P43405 4/20 0.41
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38
CSNK2A1 P68400 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAD52 P43351 1/20 0.38
CSF1R P07333 2/20 0.38
LTA4H P09960 1/20 0.38
PTGER4 P35408 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
CCNT1 O60563 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
DAPK1 P53355 1/20 0.36

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
SCHEMBL6880040 0.95 SCN9A (0.48) SCN9ASYKKDM4ESMN1; SMN2NMT2
SCHEMBL6878698 0.90 SCN9A (0.43) SCN9ASYKKDM4ESMN1; SMN2NMT2
SCHEMBL6878439 0.84 SYK (0.43) SYKCSF1R
SCHEMBL6878696 0.79 RAD52 (0.42) SCN9ASYKCSNK2A1MEN1KMT2A
SCHEMBL6879926 0.79 SELP (0.44) SYKKDM4ERAD52CSF1R
SCHEMBL6871947 0.77 TACR1 (0.41) SCN9ASYK
SCHEMBL6878766 0.76 KDM4E (0.46) KDM4ESMN1; SMN2MEN1KMT2ALTA4H
SCHEMBL6872231 0.74 NMT2 (0.41) SYKNMT2NMT1CSNK2A1CSF1R
Dimethylaminoethanol SCHEMBL6877129 0.73 KDM4E (0.43) KDM4ESMN1; SMN2MEN1KMT2ALTA4H
SCHEMBL6016404 0.72 SYK (0.45) SYKCSNK2A1RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787539-B2 HAS ACTIVITY AS AN ANTAGONIST TO NEUROKININ 1 RECEPTORS; FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA (BPH) HOFFMANN-LA ROCHE INC. 2004-09-07 US disclosed
US-20020099207-A1 2,4,5,-trisubstituted pyrimidine derivatives HOFFMANN-LA ROCHE INC. 2002-07-25 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-20020099207-A1 2,4,5,-trisubstituted pyrimidine derivatives TACR1, TACR2, P2RY2 SCN9A 1166/4885SYK 872/4885KDM4E 3664/4885

“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.