SCHEMBL3065148

SCHEMBL3065148

O=C(O)NCCn1nc(-c2ccccc2)cc1C(=O)CC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.43
PIN1 Q13526 3/20 0.42
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
CREBBP Q92793 1/20 0.41
EPHX2 P34913 1/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3067151 0.94 GAA (0.45) CYP2D6PIN1CNR1CNR2GAA
SCHEMBL13137566 0.86 ACACB (0.44) CYP2D6PIN1ALDH1A1
SCHEMBL13137615 0.81 ACACB (0.43) CYP2D6PIN1CNR2GAAMAPT
SCHEMBL1313264 0.72 CA1 (0.43) CYP2D6CREBBPMAPTLMNAALDH1A1
SCHEMBL3067048 0.72 L3MBTL1 (0.46) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL2774280 0.66 L3MBTL1 (0.45) CYP2D6GAAMAPTMEN1CYP3A4
SCHEMBL5981219 0.65 KMT2A (0.40) GAAMAPTMEN1KMT2ANPC1
SCHEMBL20141716 0.65 SMN1; SMN2 (0.60) MAPTRAB9ALMNAALDH1A1POLB
SCHEMBL8037981 0.65 IDO1 (0.45) PIN1NPC1RAB9A
SCHEMBL1314087 0.65 SMN1; SMN2 (0.47) MAPTMEN1KMT2ARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222332-A1 PYRAZOLO-PYRAZINES DERIVATIVES USED AS G PROTEIN INHIBITORS IPSEN PHARMA S.A.S. (FR) 2010-09-02 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-20100222332-A1 PYRAZOLO-PYRAZINES DERIVATIVES USED AS G PROTEIN INHIBITORS GNAI1, GRK5, GNAI2 CYP2D6 2844/4885PIN1 1779/4885CNR1 972/4885

“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.