SCHEMBL19992897

SCHEMBL19992897

CC1(C(=O)O)CCN(c2cc(CN3CCNCC3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.50
CYP3A4 P08684 6/20 0.50
ADRB1 P08588 1/20 0.47
USP2 O75604 5/20 0.47
CYP2C19 P33261 3/20 0.47
CYP1A2 P05177 2/20 0.47
TSHR P16473 5/20 0.46
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.43
DDR1 Q08345 1/20 0.43
FFAR4 Q5NUL3 5/20 0.43
CYP2C9 P11712 2/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL19974861 0.82 CYP2D6 (0.49) CYP2D6CYP3A4USP2CYP2C19CYP1A2
SCHEMBL30395796 0.82 CYP2D6 (0.49) CYP2D6CYP3A4USP2CYP2C19CYP1A2
SCHEMBL19992930 0.81 MGLL (0.64) CYP2D6
SCHEMBL20503588 0.80 ADRB1 (0.60) CYP2D6CYP3A4ADRB1CYP2C19TSHR
SCHEMBL28856372 0.77 ADRB1 (0.56) CYP2D6CYP3A4ADRB1CYP2C19TSHR
SCHEMBL28201363 0.77 ADRB1 (0.52) CYP2D6CYP3A4ADRB1USP2CYP2C19
SCHEMBL19974297 0.75 CYP2D6 (0.53) CYP2D6CYP3A4USP2CYP2C19CYP1A2
SCHEMBL19262510 0.74 CYP2D6 (0.72) CYP2D6CYP3A4ADRB1USP2CYP2C19
SCHEMBL20137093 0.74 CYP2D6 (0.54) CYP2D6CYP3A4USP2CYP2C19CYP1A2
SCHEMBL16392313 0.74 CYP3A4 (0.54) CYP2D6CYP3A4USP2CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109996790-B Piperazine carbamates and methods of making and using the same H.隆德贝克有限公司 2023-05-16 CN disclosed
EP-3515897-B1 PIPERAZINE CARBAMATES AS MODULATORS OF MAGL AND/OR ABHD6 AND THEIR USE H LUNDBECK AS (DK) 2021-08-18 EP disclosed
EP-3515897-B1 PIPERAZINE CARBAMATES AS MODULATORS OF MAGL AND/OR ABHD6 AND THEIR USE H LUNDBECK AS (DK) 2021-08-18 EP disclosed
US-10899737-B2 Piperazine carbamates and methods of making and using same LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2021-01-26 US disclosed
US-20190202801-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2019-07-04 US disclosed
US-20190202801-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2019-07-04 US disclosed
WO-2018053447-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2018-03-22 WO 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-10899737-B2 Piperazine carbamates and methods of making and using same ABHD6, RABL6, ABHD16A CYP2D6 386/4885CYP3A4 3709/4885ADRB1 4132/4885
US-20190202801-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME ABHD6, RABL6, ABHD16A CYP2D6 386/4885CYP3A4 3709/4885ADRB1 4132/4885

“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.