SCHEMBL12445146

SCHEMBL12445146

O=C1CCCN1c1cc(Br)c2c(c1)CCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
KMT2A Q03164 3/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL12445147 0.81 CYP11B2 (0.35)
SCHEMBL2335075 0.78 HPGD (0.41) LMNAKMT2ATSHRMEN1ALDH1A1
SCHEMBL2361358 0.75 HPGD (0.39) LMNAKMT2ATSHRMEN1ALDH1A1
SCHEMBL12445273 0.74 LMNA (0.51) LMNAKMT2ATSHRMEN1ALDH1A1
SCHEMBL12444815 0.73 AKR1C3 (0.45) LMNAKMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL8118010 0.68 GAA (0.39) MAPTGAA
SCHEMBL12444837 0.68 LMNA (0.45) LMNAKMT2ATSHRMEN1ALDH1A1
SCHEMBL153211 0.67 AHR (0.45) TSHRCYP3A4MAPT
SCHEMBL7812949 0.67 LMNA (0.54) LMNAKMT2ATSHRMEN1ALDH1A1
SCHEMBL31704180 0.67 ALDH1A1 (0.49) LMNAKMT2ATSHRMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
WO-2011098776-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-18 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-20130053372-A1 5-HT RECEPTOR MODULATORS HTR1B, HTR5A, HTR1A LMNA 3961/4885KMT2A 2405/4885TSHR 279/4885

“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.