SCHEMBL5861982

SCHEMBL5861982

COc1ccc(CC(=O)NC2CCNCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.74
SIGMAR1 Q99720 1/20 0.60
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 3/20 0.58
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
POLB P06746 1/20 0.53
LMNA P02545 2/20 0.51
NPC1 O15118 2/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
HTR4 Q13639 1/20 0.50
MCHR1 Q99705 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL3454750 0.85 EPHX2 (1.00) EPHX2SIGMAR1HTTSMN1; SMN2ALDH1A1
SCHEMBL5049577 0.85 EPHX2 (1.00) EPHX2SIGMAR1HTTSMN1; SMN2ALDH1A1
SCHEMBL24011366 0.82 SMN1; SMN2 (0.76) EPHX2SMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL652791 0.81 LMNA (0.79) EPHX2SIGMAR1ALDH1A1HPGDPOLB
SCHEMBL3638096 0.81 SIGMAR1 (0.58) EPHX2SIGMAR1ALDH1A1POLBLMNA
SCHEMBL16825757 0.81 SIGMAR1 (0.58) EPHX2SIGMAR1HTTSMN1; SMN2ALDH1A1
SCHEMBL4693545 0.80 EPHX2 (0.71) EPHX2SIGMAR1ALDH1A1LMNAMEN1
SCHEMBL21624779 0.80 LMNA (0.55) EPHX2SMN1; SMN2ALDH1A1POLBLMNA
Hydrochloric Acid SCHEMBL6473105 0.79 LMNA (0.77) EPHX2SIGMAR1ALDH1A1HPGDPOLB
SCHEMBL18396293 0.79 HPGDS (0.62) SMN1; SMN2HPGDNPC1RAB9AHTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041667-B1 CCR5 modulators PFIZER, INC. (US) 2006-05-09 US disclosed
US-20050014757-A1 Azacyclic compounds ANDERSSON CARL-MAGNUS A (DK) 2005-01-20 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-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT EPHX2 1905/4885SIGMAR1 295/4885HTT 541/4885

“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.