SCHEMBL628166

SCHEMBL628166

O=C(CC1(c2ccccc2)CCC1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
NAPRT Q6XQN6 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 1/20 0.42
CTNNB1 P35222 3/20 0.41
WNT3A P56704 2/20 0.41
GRM4 Q14833 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GRM5 P41594 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
DPP4 P27487 1/20 0.40

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
SCHEMBL628363 0.89 HSD11B1 (0.52) CES2CES1KMT2AALDH1A1CTNNB1
SCHEMBL627096 0.89 TLR7 (0.45) KDM4ELMNAL3MBTL1CES2CES1
SCHEMBL627876 0.86 TLR7 (0.48) L3MBTL1CES1KMT2AALDH1A1HTT
SCHEMBL626251 0.86 SLC6A4 (0.43) L3MBTL1KMT2AALDH1A1CTNNB1WNT3A
SCHEMBL15011323 0.86 GRM4 (0.47) L3MBTL1CES1GRM4SMN1; SMN2GRM5
SCHEMBL625409 0.83 TRPV3 (0.49) GRM4NPSR1
SCHEMBL627425 0.83 TLR7 (0.50) KMT2ACTNNB1WNT3AMEN1
SCHEMBL625891 0.83 SLC6A4 (0.49) LMNAL3MBTL1KMT2AALDH1A1CTNNB1
SCHEMBL625302 0.80 HDAC3 (0.42) ALDH1A1CTNNB1WNT3AGRM4
SCHEMBL2761863 0.78 L3MBTL1 (0.47) LMNAL3MBTL1NAPRTP4HTMCES2

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-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO 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-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 KDM4E 3537/4885LMNA 2468/4885L3MBTL1 4284/4885

“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.