SCHEMBL13149668

SCHEMBL13149668

O=C(C1CC1)N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.83
▸ SMN1; SMN2 Q16637 2/20 0.83
▸ NPC1 O15118 4/20 0.66
▸ RAB9A P51151 3/20 0.66
▸ FAAH O00519 1/20 0.66
▸ HRH3 Q9Y5N1 4/20 0.64
▸ S1PR5 Q9H228 1/20 0.64
▸ KMT2A Q03164 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ LMNA P02545 1/20 0.59
▸ HTT P42858 1/20 0.59

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
SCHEMBL5080239 0.87 KMT2A (0.78) SMN1; SMN2KMT2AALDH1A1MEN1KDM4E
SCHEMBL27658773 0.84 RAB9A (0.78) TP53SMN1; SMN2NPC1RAB9AHRH3
Hydrochloric Acid SCHEMBL1449444 0.83 KMT2A (0.68) TP53SMN1; SMN2FAAHKMT2AALDH1A1
SCHEMBL1143656 0.83 NPC1 (0.85) TP53SMN1; SMN2NPC1RAB9AFAAH
SCHEMBL13149757 0.82 HRH3 (0.74) TP53SMN1; SMN2NPC1RAB9AFAAH
SCHEMBL5060092 0.81 ALDH1A1 (0.67) TP53SMN1; SMN2NPC1RAB9AFAAH
SCHEMBL14456776 0.81 KDM4E (0.70) TP53SMN1; SMN2FAAHKMT2AALDH1A1
SCHEMBL3042737 0.81 NR4A2 (0.72) TP53SMN1; SMN2NPC1RAB9AFAAH
SCHEMBL10947749 0.80 KMT2A (0.76) TP53SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL13150818 0.80 KMT2A (0.63) SMN1; SMN2KMT2AALDH1A1MEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 — — US disclosed
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 — — US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 — — US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 — — US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 — — US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 — — US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 — — US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 — — US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 — — US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 — — 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 (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-20070004750-A1 N-substituted piperazines PRXL2A, CNPY2, CYP4X1 TP53 4479/4885SMN1; SMN2 2322/4885NPC1 1809/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 TP53 4479/4885SMN1; SMN2 2322/4885NPC1 1809/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 TP53 4479/4885SMN1; SMN2 2322/4885NPC1 1809/4885

“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