SCHEMBL12445159

SCHEMBL12445159

CN1CCCN(c2cc(N3CCCS3(=O)=O)ccc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
PTK2B Q14289 1/20 0.40
BRD4 O60885 1/20 0.39
TP53 P04637 2/20 0.38
CHKA P35790 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 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
SCHEMBL2359685 0.96 MAPT (0.42) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL2360208 0.83 TP53 (0.45) ALDH1A1SMN1; SMN2KDM4ETP53HPGD
SCHEMBL12445279 0.78 AKR1C3 (0.39) BRD4TP53SLC6A2SLC6A4SLC6A3
SCHEMBL12445151 0.73 CA1 (0.47) TP53SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL14355849 0.71 ADRA2C (0.49) MAPTLMNAMAPK1KMT2ASLC9A3
SCHEMBL14717300 0.70 HPGD (0.50) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL15786413 0.70 PARP1 (0.47) TP53PARP1
SCHEMBL12444818 0.69 HTR6 (0.39) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL8312434 0.69 POLB (0.49) TP53SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4717743 0.69 NCF1 (0.59) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2

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 5 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 claimed
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
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 ALDH1A1 987/4885MAPT 2442/4885CYP1A2 627/4885

“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.