SCHEMBL19601422

SCHEMBL19601422

COCC1CCN(C(=O)C2CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 3/20 0.48
KMT2A Q03164 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHRNB3 Q05901 1/20 0.46
CHRNA6 Q15825 1/20 0.46
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
PKM P14618 2/20 0.42
HSD11B1 P28845 2/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL24334495 0.90 SMN1; SMN2 (0.47) SMN1; SMN2HPGDKMT2AALDH1A1TSHR
SCHEMBL27370875 0.89 CHRNB2 (0.51) SMN1; SMN2HPGDKMT2ACHRNB2CHRNA3
SCHEMBL24321070 0.87 HSD11B1 (0.54) SMN1; SMN2HPGDKMT2AALDH1A1HTT
SCHEMBL12327243 0.83 CHRNB2 (0.46) SMN1; SMN2HPGDKMT2ACHRNB2CHRNA3
SCHEMBL12396094 0.81 EPHX2 (0.46) KMT2ACHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL19608502 0.81 HPGD (0.48) SMN1; SMN2HPGDKMT2ACHRNB2CHRNA3
SCHEMBL19604768 0.81 HPGD (0.48) SMN1; SMN2HPGDCHRNB2CHRNA3CHRNA4
SCHEMBL797393 0.81 KMT2A (0.42) KMT2AMEN1
SCHEMBL4550273 0.81 CYP4F2 (0.41) KMT2ACYP4F2CYP4A11MEN1
SCHEMBL24321610 0.80 CHRNB2 (0.46) SMN1; SMN2KMT2ACHRNB2CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210113561-A1 PHARMACEUTICAL COMPOSITION, METHODS FOR TREATING AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-22 US disclosed
EP-3455216-B1 PYRIDINYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AS AOC3 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2020-11-04 EP disclosed
US-9926292-B2 Pyridinyl derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-27 US disclosed
US-20170327483-A1 Pyridinyl derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-16 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 (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-20170327483-A1 Pyridinyl derivatives, pharmaceutical compositions and uses thereof P2RY1, PNPO, P2RY4 SMN1; SMN2 3492/4885HPGD 143/4885KMT2A 3504/4885
US-20210113561-A1 PHARMACEUTICAL COMPOSITION, METHODS FOR TREATING AND USES THEREOF SLC5A2, SLC5A1, SLC2A3 SMN1; SMN2 1626/4885HPGD 2621/4885KMT2A 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.