SCHEMBL5944261

SCHEMBL5944261

CC1(c2ccncc2)CNCC[N]1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.32
NISCH Q9Y2I1 1/20 0.32
ADRB2 P07550 1/20 0.32
NCF1 P14598 1/20 0.32
PLD1 Q13393 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL2201139 0.84 HTR2A (0.44)
Hydrochloric Acid SCHEMBL5874274 0.69 CYP2D6 (0.46) CYP19A1ADRB2NCF1PLD1KDM4E
Hydrochloric Acid SCHEMBL5874148 0.69 CYP2D6 (0.46) CYP19A1ADRB2NCF1PLD1KDM4E
SCHEMBL2203810 0.69 OPRM1 (0.40) NISCH
SCHEMBL349455 0.63 DRD2 (0.47) CYP19A1ADRB2NCF1PLD1
SCHEMBL194227 0.62
Hydrochloric Acid SCHEMBL5874154 0.62 HTR2A (0.36) CYP19A1ADRB2NCF1PLD1
Hydrochloric Acid SCHEMBL5874086 0.62 HTR2A (0.36) CYP19A1ADRB2NCF1PLD1
SCHEMBL14943252 0.61 CYP19A1 (0.38) CYP19A1LMNAGAA
SCHEMBL654291 0.60 HTR2A (0.47) NISCHGAA

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-20060281714-A1 Combinations of a cathepsin k inhibitor and a bisphosphonate in the treatment of bone metastasis, tumor growth and tumor-induced bone loss ZIMMERMANN JOHANN 2006-12-14 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-20060281714-A1 Combinations of a cathepsin k inhibitor and a bisphosphonate in the treatment of bone metastasis, tumor growth and tumor-induced bone loss CTSK, CTSB, CTSZ CYP19A1 1357/4885NISCH 2288/4885ADRB2 3518/4885

“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.