SCHEMBL21843786

SCHEMBL21843786

CC(C)NC1(C)CCN(c2ncccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
CYP3A4 P08684 5/20 0.46
CYP2D6 P10635 5/20 0.46
TSHR P16473 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
USP2 O75604 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 6/20 0.40
CYP1A2 P05177 3/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL21917400 0.75 KDM4E (0.44) LMNAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL21844002 0.75 NPC1 (0.43) MEN1KMT2AALDH1A1HSD17B10HPGD
SCHEMBL21917401 0.74 TRPV1 (0.44) CYP3A4CYP2D6TSHRMEN1KMT2A
SCHEMBL24946251 0.74 SORD (0.42)
SCHEMBL3205032 0.73 CYP3A4 (0.53) LMNACYP3A4CYP2D6TSHRMEN1
SCHEMBL30079990 0.72 CYP3A4 (0.56) LMNACYP3A4CYP2D6TSHRMEN1
SCHEMBL2168776 0.69 KDM4E (0.60) LMNACYP3A4CYP2D6TSHRMEN1
SCHEMBL3339822 0.69 KDM4E (0.60) LMNACYP3A4CYP2D6TSHRMEN1
SCHEMBL18228600 0.69 KDM4E (0.60) LMNACYP3A4CYP2D6TSHRMEN1
SCHEMBL10498542 0.69 LMNA (0.70) LMNACYP3A4CYP2D6TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11566001-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-10590076-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2020-03-17 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-10590076-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP LMNA 2483/4885CYP3A4 2465/4885CYP2D6 4268/4885
US-11566001-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP LMNA 2483/4885CYP3A4 2465/4885CYP2D6 4268/4885

“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.