SCHEMBL14915312

SCHEMBL14915312

CC1(C)CN(C(=O)O)CCN1c1ccc(N)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC6 Q9Y210 3/20 0.39
▸ GABRP O00591 2/20 0.36
▸ GABRD O14764 2/20 0.36
▸ GABRA1 P14867 2/20 0.36
▸ GABRB1 P18505 2/20 0.36
▸ GABRG2 P18507 2/20 0.36
▸ GABRB3 P28472 2/20 0.36
▸ GABRA5 P31644 2/20 0.36
▸ GABRA3 P34903 2/20 0.36
▸ GABRA2 P47869 2/20 0.36
▸ GABRB2 P47870 2/20 0.36
▸ GABRA4 P48169 2/20 0.36
▸ GABRE P78334 2/20 0.36
▸ GABRA6 Q16445 2/20 0.36
▸ GABRG1 Q8N1C3 2/20 0.36
▸ GABRG3 Q99928 2/20 0.36
▸ GABRQ Q9UN88 2/20 0.36
▸ PIK3CD O00329 2/20 0.36
▸ CCR1 P32246 1/20 0.35
▸ GCKR Q14397 3/20 0.35

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
SCHEMBL29741868 0.83 GPR119 (0.50) PIK3CDMTORPIK3CASMN1; SMN2GPR119
SCHEMBL14915852 0.80 POLB (0.48) CHRNB2CHRNA4SMN1; SMN2
SCHEMBL14915853 0.80 POLB (0.48) CHRNB2CHRNA4SMN1; SMN2
SCHEMBL29741982 0.80 SMN1; SMN2 (0.40) TRPC6SMN1; SMN2GPR119KDM4E
SCHEMBL1393850 0.76 TRPC6 (0.52) TRPC6GABRPGABRDGABRA1GABRB1
SCHEMBL29600699 0.76 TRPC6 (0.52) TRPC6GABRPGABRDGABRA1GABRB1
SCHEMBL27694796 0.74 IDO1 (0.46) TRPC6GABRPGABRDGABRA1GABRB1
SCHEMBL25143237 0.73 TRPC6 (0.47) TRPC6GABRPGABRDGABRA1GABRB1
SCHEMBL16824828 0.73 AKR1C3 (0.49) SMN1; SMN2
SCHEMBL1393916 0.71 GABRP (0.39) TRPC6GABRPGABRDGABRA1GABRB1

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 TRPC6 2306/4885GABRP 2019/4885GABRD 2715/4885
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK TRPC6 2427/4885GABRP 2126/4885GABRD 2786/4885
US-20150094302-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK TRPC6 2306/4885GABRP 2019/4885GABRD 2715/4885

“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.

Send feedback