SCHEMBL14915853

SCHEMBL14915853

CC1(C)CN(C(=O)O)CCN1c1ccc([N+](=O)[O-])nc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 6/20 0.47
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CHRNB2 P17787 3/20 0.40
▸ CHRNA4 P43681 3/20 0.40
▸ CHRNB4 P30926 2/20 0.39
▸ CHRNA3 P32297 2/20 0.39
▸ TGM2 P21980 3/20 0.37
▸ LMNA P02545 2/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL14915852 1.00 POLB (0.48) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL30512278 0.85 MAPT (0.52) POLBMAPTRAB9ASMN1; SMN2TGM2
SCHEMBL14925978 0.85 MAPT (0.52) POLBMAPTRAB9ASMN1; SMN2TGM2
SCHEMBL16824828 0.82 AKR1C3 (0.49) POLBMAPTSMN1; SMN2LMNAAKR1C3
SCHEMBL29742102 0.81 MAPT (0.42) POLBMAPTRAB9ASMN1; SMN2TGM2
SCHEMBL14915312 0.80 TRPC6 (0.39) SMN1; SMN2CHRNB2CHRNA4
SCHEMBL1393988 0.78 MAPT (0.67) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL1393989 0.78 MAPT (0.67) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL27676282 0.76 MAPT (0.53) POLBMAPTRAB9ASMN1; SMN2CHRNB2
Ammonia Solution, Strong SCHEMBL21245872 0.75 MAPT (0.58) POLBMAPTRAB9ASMN1; SMN2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773639-B1 ALKYLATED PIPERAZINE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2017-04-26 — — EP disclosed
US-9115152-B2 Alkylated piperazine compounds GENENTECH, INC. (US) 2015-08-25 — — US disclosed
US-20150094302-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2015-04-02 — — US disclosed
US-8946213-B2 Alkylated piperazine compounds GENENTECH, INC. (US) 2015-02-03 — — US disclosed
EP-2773639-A1 ALKYLATED PIPERAZINE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 — — EP disclosed
US-20140221365-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2014-08-07 — — US disclosed
US-8729072-B2 Alkylated piperazine compounds F. HOFFMAN-LA ROCHE AG (CH) 2014-05-20 — — US disclosed
WO-2013067277-A1 ALKYLATED PIPERAZINE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 — — WO disclosed
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 — — 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 (3 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-20140221365-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK POLB 1560/4885MAPT 2501/4885RAB9A 3047/4885
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK POLB 1481/4885MAPT 1919/4885RAB9A 3385/4885
US-20150094302-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK POLB 1560/4885MAPT 2501/4885RAB9A 3047/4885

“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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