SCHEMBL4128527

SCHEMBL4128527

CN1C2CCC1CC(C(N)=O)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
CYP2C9 P11712 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.41
CHRM3 P20309 2/20 0.41
HTR3E A5X5Y0 3/20 0.40
HTR3B O95264 3/20 0.40
HTR3A P46098 3/20 0.40
HTR3D Q70Z44 3/20 0.40
HTR3C Q8WXA8 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
GMNN O75496 1/20 0.40
ALOX15 P16050 1/20 0.40
MTOR P42345 1/20 0.40
PMP22 Q01453 1/20 0.40
HSD17B10 Q99714 1/20 0.40
OPRK1 P41145 1/20 0.40
GAA P10253 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL9514959 0.91 CHRM3 (0.43) LMNACYP2C9SMN1; SMN2CHRM3CYP2D6
SCHEMBL21145976 0.81 SMN1; SMN2 (0.37) LMNACYP2C9SMN1; SMN2CHRM3OPRK1
SCHEMBL31008717 0.79 SMN1; SMN2 (0.36) LMNACYP2C9SMN1; SMN2KMT2AALDH1A1
SCHEMBL8947045 0.79 LMNA (0.52) LMNACYP2C9SMN1; SMN2CHRM3HTR3E
SCHEMBL11388564 0.79 LMNA (0.52) LMNACYP2C9SMN1; SMN2CHRM3HTR3E
SCHEMBL6648506 0.79 LMNA (0.52) LMNACYP2C9CHRM3HTR3EHTR3B
Hydrochloric Acid SCHEMBL2417970 0.77 TDP1 (0.52) LMNACYP2C9SMN1; SMN2CHRM3HTR3E
SCHEMBL7662691 0.76 LMNA (0.48) LMNACYP2C9SMN1; SMN2CHRM3HTR3E
SCHEMBL7662685 0.76 LMNA (0.48) LMNACYP2C9SMN1; SMN2CHRM3HTR3E
Hydrochloric Acid SCHEMBL9045619 0.76 LMNA (0.48) LMNACYP2C9CHRM3HTR3EHTR3B

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
US-11117869-B2 Compounds, compositions and methods for treatment of myopia AERIE PHARMACEUTICALS, INC. (US) 2021-09-14 US disclosed
US-20200247760-A1 Compounds, Compositions and Methods for Treatment of Myopia ALCON INC. (CH) 2020-08-06 US disclosed
EP-2989099-A1 A PROCESS FOR THE SYNTHESIS OF MARAVIROC Zentiva K.S. (CZ) 2016-03-02 EP disclosed
WO-2014173375-A1 A PROCESS FOR THE SYNTHESIS OF MARAVIROC ZENTIVA, K.S. (CZ) 2014-10-30 WO disclosed
US-20090093468-A1 Peptide Deformylase Inhibitors ARPIDA A/S (DK) 2009-04-09 US disclosed
US-5070094-A ANTIARRHYTHMIA AGENTS; PROLONGING CARDIAC ACTION POTENTIAL REP OLARIZATION G. D. SEARLE & CO. (US) 1991-12-03 US disclosed
EP-0416521-A1 N-Benzyltropaneamides G.D. Searle & Co. (US) 1991-03-13 EP 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-11117869-B2 Compounds, compositions and methods for treatment of myopia MYOC, HDAC8, PDE6C LMNA 134/4885CYP2C9 4296/4885SMN1; SMN2 1696/4885
US-20090093468-A1 Peptide Deformylase Inhibitors PDF, PEPD, MRPL21 LMNA 2707/4885CYP2C9 4152/4885SMN1; SMN2 2599/4885
US-20200247760-A1 Compounds, Compositions and Methods for Treatment of Myopia MYOC, HDAC8, PDE6C LMNA 134/4885CYP2C9 4296/4885SMN1; SMN2 1696/4885

“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.