SCHEMBL22017712

SCHEMBL22017712

Cc1cc2n(c1)CCN(Cc1ccccc1)C2

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 11/20 0.63
▸ LMNA P02545 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ SIGMAR1 Q99720 3/20 0.50
▸ MC4R P32245 1/20 0.47

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
SCHEMBL13663753 0.81 COMT (0.59) COMTLMNAPOLBSIGMAR1MC4R
SCHEMBL18894648 0.77 COMT (1.00) COMT
SCHEMBL2520788 0.75 HDAC1 (0.63) COMT
SCHEMBL18894751 0.73 COMT (0.66) COMT
SCHEMBL23777925 0.73 COMT (0.90) COMT
SCHEMBL20691668 0.72 LMNA (0.49) COMTLMNAPOLBSIGMAR1MC4R
SCHEMBL13381620 0.71 LMNA (1.00) LMNAPOLBSIGMAR1MC4R
SCHEMBL1991840 0.71 SIGMAR1 (0.52) COMTLMNAPOLBSIGMAR1MC4R
SCHEMBL1041303 0.70 SIGMAR1 (1.00) LMNAPOLBSIGMAR1MC4R
SCHEMBL242970 0.70 SIGMAR1 (1.00) LMNAPOLBSIGMAR1MC4R

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-11247998-B2 Piperazine heteroaryl derivative, preparation method therefor and use of same in medicine JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-02-15 — — US disclosed
US-20200157111-A1 PIPERAZINE HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE OF SAME IN MEDICINE JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-05-21 — — 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 (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-11247998-B2 Piperazine heteroaryl derivative, preparation method therefor and use of same in medicine IKZF2, WEE1, NOTUM COMT 1973/4885LMNA 2492/4885POLB 2336/4885
US-20200157111-A1 PIPERAZINE HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE OF SAME IN MEDICINE IKZF2, WEE1, NOTUM COMT 1973/4885LMNA 2492/4885POLB 2336/4885

“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.

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