SCHEMBL625042

SCHEMBL625042

O=C(c1ccccn1)C1(c2ccc(Cc3ccccc3)cc2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NAPRT Q6XQN6 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
AKR1C1 Q04828 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
GPR52 Q9Y2T5 1/20 0.39
HDAC4 P56524 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
KDR P35968 1/20 0.38
GRM5 P41594 1/20 0.37

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
SCHEMBL624814 0.85 ALDH1A1 (0.47) HTTALDH1A1LMNAL3MBTL1NAPRT
SCHEMBL626177 0.82 ALDH1A1 (0.44) HTTALDH1A1LMNAL3MBTL1NAPRT
SCHEMBL625186 0.82 P2RX7 (0.46) HTTALDH1A1LMNAL3MBTL1NAPRT
SCHEMBL626043 0.82 LMNA (0.47) HTTALDH1A1LMNAL3MBTL1NAPRT
SCHEMBL625583 0.82 ALDH1A1 (0.44) HTTALDH1A1LMNAL3MBTL1NAPRT
SCHEMBL15011536 0.79 TLR7 (0.51) HTTALDH1A1L3MBTL1CES2CES1
SCHEMBL624820 0.79 RAB9A (0.48) HTTALDH1A1LMNAL3MBTL1CES2
SCHEMBL623923 0.78 PTGS2 (0.41) HTTALDH1A1CES2CES1SMN1; SMN2
SCHEMBL14893836 0.76 TRPV3 (0.52) ALDH1A1LMNANPSR1CES2CES1
SCHEMBL626126 0.76 HSD17B14 (0.43) HTTALDH1A1LMNAL3MBTL1NAPRT

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 HTT 3886/4885ALDH1A1 2560/4885LMNA 2468/4885

“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.