SCHEMBL12445273

SCHEMBL12445273

O=C1CCCN1c1ccc2c(c1)CCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP11B2 P19099 1/20 0.48
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
AKR1C3 P42330 2/20 0.43
DYRK1A Q13627 2/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.40
PDK2 Q15119 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
SCHEMBL11117922 0.84 LMNA (0.63) LMNASMN1; SMN2CYP11B2ALDH1A1KMT2A
SCHEMBL12445148 0.80 CYP11B2 (0.46) SMN1; SMN2CYP11B2DYRK1ADYRK2DYRK1B
SCHEMBL10876568 0.78 CMA1 (0.56) LMNASMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL11082661 0.78 ALDH1A1 (0.45) LMNASMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL11114523 0.77 ALDH1A1 (0.54) LMNAALDH1A1KMT2AKDM4EHPGD
SCHEMBL807311 0.77 TMEM97 (0.53) LMNASMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL11142367 0.74 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL11110045 0.74 CMA1 (0.54) LMNASMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL12445146 0.74 LMNA (0.43) LMNASMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL26667208 0.73 NPSR1 (0.50) LMNASMN1; SMN2CYP11B2ALDH1A1KMT2A

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 3961/4885SMN1; SMN2 2528/4885CYP11B2 583/4885

“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.