SCHEMBL625366

SCHEMBL625366

Cc1ccccc1C1(C(=O)c2ccccn2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.50
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NAPRT Q6XQN6 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
FPR2 P25090 1/20 0.43
GRM5 P41594 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
PKM P14618 2/20 0.40
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
GRIN2B Q13224 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL625320 0.82 HDAC4 (0.50) HDAC4LMNAL3MBTL1NAPRTP4HTM
SCHEMBL626177 0.81 ALDH1A1 (0.44) LMNAL3MBTL1NAPRTP4HTMALDH1A1
SCHEMBL625206 0.80 HSD11B1 (0.49) LMNAL3MBTL1NAPRTP4HTMALDH1A1
SCHEMBL624803 0.79 HDAC4 (0.53) HDAC4LMNAL3MBTL1NAPRTP4HTM
SCHEMBL624915 0.78 HDAC4 (0.52) HDAC4LMNAALDH1A1NPC1RAB9A
SCHEMBL626043 0.78 LMNA (0.47) HDAC4LMNAL3MBTL1NAPRTP4HTM
SCHEMBL626256 0.76 TLR7 (0.43) LMNAL3MBTL1NAPRTP4HTMALDH1A1
SCHEMBL27907593 0.76 HDAC4 (0.64) HDAC4
SCHEMBL625186 0.75 P2RX7 (0.46) LMNAL3MBTL1NAPRTP4HTMALDH1A1
SCHEMBL624814 0.75 ALDH1A1 (0.47) HDAC4LMNAL3MBTL1NAPRTP4HTM

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 HDAC4 450/4885LMNA 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.