SCHEMBL6905066

SCHEMBL6905066

COc1c(Cl)cc(-n2nnnc2C(F)(F)F)c(OC)c1CO

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 2/20 0.34
NOTUM Q6P988 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TACR1 P25103 3/20 0.31
KCNN4 O15554 1/20 0.31
P2RX7 Q99572 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD11B1 P28845 1/20 0.31
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL6906160 0.80 TACR1 (0.35) ALDH1A1TACR1KCNN4
SCHEMBL6899145 0.79 GABRP (0.37) GABRB3NOTUMGABRA2GABRB2ALDH1A1
SCHEMBL6903632 0.79 NOTUM (0.33) NOTUMMEN1KMT2AHSD11B1
SCHEMBL6906733 0.79 MEN1 (0.30) MEN1KMT2ATACR1
SCHEMBL6918745 0.71 HSD17B10 (0.35) MEN1KMT2ATACR1
SCHEMBL6920360 0.68 TACR1 (0.36) TACR1
SCHEMBL8705898 0.66 NOTUM (0.48) NOTUMMEN1KMT2AALDH1A1TACR1
SCHEMBL4205517 0.65 KCNN4 (0.56) MEN1KMT2AALDH1A1TACR1KCNN4
SCHEMBL2658853 0.65 L3MBTL1 (0.41) NOTUMALDH1A1KCNN4P2RX7L3MBTL1
SCHEMBL5781675 0.64 ALDH1A1 (0.45) KMT2AALDH1A1L3MBTL1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-04 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-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists BDKRB1, BDKRB2, TACR1 GABRB3 675/4885NOTUM 3732/4885MEN1 442/4885

“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.