SCHEMBL5047494

SCHEMBL5047494

CC1CCN(C(=O)c2cccc(I)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.67
MGLL Q99685 2/20 0.62
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
HPGD P15428 4/20 0.60
ALDH1A1 P00352 3/20 0.60
TP53 P04637 2/20 0.60
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL3 Q96JM7 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GRM5 P41594 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.48

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
SCHEMBL10724144 0.89 ACHE (0.77) ACHEMGLLNPC1RAB9AHPGD
SCHEMBL5047484 0.85 MGLL (0.62) ACHEMGLLHPGDALDH1A1TP53
SCHEMBL8054515 0.83 HPGD (0.69) ACHEMGLLNPC1RAB9AHPGD
SCHEMBL22516911 0.83 MGLL (0.57) ACHEMGLLNPC1RAB9AHPGD
SCHEMBL12547325 0.82 SMN1; SMN2 (0.63) MGLLHPGDALDH1A1TP53TSHR
SCHEMBL1947109 0.82 HPGD (0.65) MGLLNPC1RAB9AHPGDALDH1A1
SCHEMBL3455949 0.82 PLA2G1B (0.60) MGLLRAB9AHPGDALDH1A1TSHR
SCHEMBL23440304 0.82 ALDH1A1 (0.73) ACHEMGLLNPC1RAB9AHPGD
SCHEMBL13504099 0.82 SMN1; SMN2 (0.68) ACHEMGLLNPC1RAB9AHPGD
SCHEMBL9500165 0.82 ACHE (0.67) ACHEMGLLNPC1RAB9AHPGD

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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP claimed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO claimed
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. 2012-02-02 US 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-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 ACHE 844/4885MGLL 4647/4885NPC1 436/4885

“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.