SCHEMBL624620

SCHEMBL624620

O=C(c1ccccn1)C1(c2cccnc2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HTT P42858 2/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
VNN1 O95497 1/20 0.41
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NAPRT Q6XQN6 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
HSD11B1 P28845 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
IDO1 P14902 1/20 0.39
P2RX7 Q99572 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AKR1C1 Q04828 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 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
SCHEMBL626043 0.84 LMNA (0.47) ALDH1A1HTTCES2CES1LMNA
SCHEMBL625186 0.79 P2RX7 (0.46) ALDH1A1HTTCES2CES1LMNA
SCHEMBL626177 0.79 ALDH1A1 (0.44) ALDH1A1HTTCES2CES1LMNA
SCHEMBL624814 0.79 ALDH1A1 (0.47) ALDH1A1HTTCES2CES1LMNA
SCHEMBL27925690 0.79 ALDH1A1 (0.46) ALDH1A1VNN1LMNAHSD11B1IDO1
SCHEMBL15011470 0.78 P2RX7 (0.50) ALDH1A1HTTCES2CES1LMNA
SCHEMBL624915 0.78 HDAC4 (0.52) ALDH1A1HTTCES2CES1LMNA
SCHEMBL625206 0.78 HSD11B1 (0.49) ALDH1A1HTTCES2CES1LMNA
SCHEMBL1574935 0.76 IDO1 (0.46) ALDH1A1VNN1LMNAHSD11B1IDO1
SCHEMBL15348892 0.76 OPRM1 (0.47) ALDH1A1VNN1LMNAHSD11B1IDO1

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 ALDH1A1 2560/4885HTT 3886/4885CES2 4412/4885

“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.