SCHEMBL4463404

SCHEMBL4463404

COC1(C)CCN(C(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.33
CYP3A4 P08684 4/20 0.33
HSD11B1 P28845 3/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C9 P11712 3/20 0.33
CYP1A2 P05177 2/20 0.33
SPR P35270 2/20 0.32
FFAR3 O14843 1/20 0.32
TSHR P16473 1/20 0.32
CYP2D6 P10635 3/20 0.32
SCN1A P35498 2/20 0.32
SCN2A Q99250 2/20 0.32
SCN3A Q9NY46 2/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL12045659 0.83 CYP1A2 (0.43) CYP2C19CYP3A4MEN1MAPK1KMT2A
SCHEMBL24723402 0.81 HSD11B1 (0.33) HSD11B1USP2CYP2C9CYP1A2SPR
SCHEMBL26806776 0.81 CYP2C9 (0.50) CYP2C19CYP3A4MEN1MAPK1KMT2A
SCHEMBL28170910 0.80 CYP3A4 (0.34) CYP2C19CYP3A4MEN1MAPK1KMT2A
SCHEMBL18701743 0.78 CYP3A4 (0.38) CYP3A4HSD11B1MEN1MAPK1KMT2A
SCHEMBL24341888 0.78 MAPT (0.42) HSD11B1MEN1KMT2AHSD17B10CYP2C9
SCHEMBL24597125 0.78 ALDH1A1 (0.40) CYP2C19CYP3A4MAPK1USP2HSD17B10
SCHEMBL22605402 0.78 ALDH1A1 (0.46) MEN1KMT2ACYP1A2TSHRALDH1A1
SCHEMBL23188165 0.78 CYP1A2 (0.37) HSD11B1CYP2C9CYP1A2CYP2D6ALDH1A1
SCHEMBL5748187 0.77 CYP3A4 (0.36) CYP2C19CYP3A4MEN1MAPK1KMT2A

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-10889591-B2 PDE9 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO. LTD. (CN) 2021-01-12 US disclosed
US-20200115384-A1 PDE9 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2020-04-16 US disclosed
US-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 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 (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-10889591-B2 PDE9 inhibitor and use thereof PDE3A, PDE9A, PDE3B CYP2C19 93/4885CYP3A4 376/4885HSD11B1 69/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CYP2C19 4438/4885CYP3A4 3986/4885HSD11B1 2215/4885
US-20200115384-A1 PDE9 INHIBITOR AND USE THEREOF PDE3A, PDE9A, PDE3B CYP2C19 93/4885CYP3A4 376/4885HSD11B1 69/4885

“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.