Sugi Predict

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SCHEMBL10093042

SCHEMBL10093042

CNC(=O)COC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ WNT3A P56704 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ USP30 Q70CQ3 2/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL5235127 0.91 SMN1; SMN2 (0.55) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL5236694 0.90 FAAH (0.52) SMN1; SMN2HPGDMEN1KMT2APOLB
SCHEMBL595310 0.88 SMN1; SMN2 (0.64) SMN1; SMN2HPGDMEN1KMT2APOLB
SCHEMBL5241403 0.87 FAAH (0.48) SMN1; SMN2HPGDMEN1KMT2APOLB
SCHEMBL5237613 0.86 CACNA1H (0.46) SMN1; SMN2HPGDALDH1A1LMNAKDM4E
SCHEMBL594929 0.86 SMN1; SMN2 (0.51) SMN1; SMN2HPGDALDH1A1LMNAWNT3A
SCHEMBL5237004 0.84 SMN1; SMN2 (0.59) SMN1; SMN2HPGDMEN1KMT2APOLB
SCHEMBL594698 0.83 AKR1C3 (0.52) SMN1; SMN2HPGDKMT2AALDH1A1RAB9A
SCHEMBL595209 0.83 SMN1; SMN2 (0.51) SMN1; SMN2HPGDKMT2AALDH1A1RAB9A
SCHEMBL594565 0.83 SMN1; SMN2 (0.51) SMN1; SMN2HPGDALDH1A1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114866-B2 Derivatives of 1-piperazine- and 1-homopiperazine-carboxylates, preparation method thereof and use of same as inhibitors of the FAAH enzyme SANOFI-AVENTIS (FR) 2012-02-14 — — US disclosed
US-20100137329-A1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI-EVENTIS (FR) 2010-06-03 — — US disclosed
US-7687503-B2 2-(methylamino)-2-oxoethyl 4-{5-[3-(trifluoromethyl)-phenyl]-2-pyridyl}-1-piperazinecarboxylate, for example; enzyme inhibitors of fatty acid amide hydrolases; treatment of pain, eating disorders, neurological and psychiatric pathologies, among other disorders SANOFI-AVENTIS (FR) 2010-03-30 — — 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-20100137329-A1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME FAAH, FAAH2, CNR1 SMN1; SMN2 2237/4885HPGD 198/4885MEN1 2311/4885

“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.