SCHEMBL4039437

SCHEMBL4039437

O=C(CCc1nc(-c2ccccn2)no1)NC1CCN(C(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 1/20 0.58
TP53 P04637 2/20 0.56
TSHR P16473 3/20 0.55
HTT P42858 1/20 0.55
ATM Q13315 1/20 0.55
LMNA P02545 2/20 0.54
TDP1 Q9NUW8 2/20 0.53
KMT2A Q03164 2/20 0.52
USP2 O75604 1/20 0.52
CYP3A4 P08684 2/20 0.51
EPHX2 P34913 2/20 0.51
KCNH2 Q12809 1/20 0.51
CACNA1C Q13936 1/20 0.51
MEN1 O00255 1/20 0.50
HCRTR1 O43613 1/20 0.50
ABL1 P00519 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 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
SCHEMBL4031705 0.88 SMN1; SMN2 (0.72) HPGDSMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL6313243 0.85 HPGD (0.59) HPGDSMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL4039252 0.81 SMN1; SMN2 (0.48) HPGDSMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL4035684 0.81 SMN1; SMN2 (0.48) HPGDSMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL4032572 0.81 TSHR (0.58) HPGDSMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL4032891 0.81 SMN1; SMN2 (0.60) HPGDSMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL4031280 0.79 TSHR (0.58) HPGDSMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL4031536 0.79 TSHR (0.58) HPGDSMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL3517537 0.76 NPC1 (0.68) HPGDSMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL4032329 0.75 KMT2A (0.49) HPGDSMN1; SMN2ALDH1A1TP53TSHR

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
EP-1212299-B1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2009-04-08 EP disclosed
US-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity MERRILL LYNCH CAPITAL, A DIVISION OF MERRILL LYNCH BUSINESS FINANCIAL SERVICES, INC. AS ADMINISTRATIVE AGENT 2005-11-10 US disclosed
US-6903085-B1 Substituted piperidine compounds useful as modulators of chemokine receptor activity ASTRAZENECA, AB (CH) 2005-06-07 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-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR3 HPGD 1547/4885SMN1; SMN2 3217/4885ALDH1A1 1952/4885

“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.