SCHEMBL4035684

SCHEMBL4035684

C[C@@H](c1ccc(Br)cc1)N1CCC(NC(=O)CCc2nc(-c3ccccn3)no2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 2/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
HPGD P15428 3/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
MEN1 O00255 1/20 0.45
PRCP P42785 4/20 0.45
HCRTR1 O43613 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL4039252 1.00 SMN1; SMN2 (0.48) SMN1; SMN2TSHRHTTATMHPGD
SCHEMBL4039437 0.81 HPGD (0.58) SMN1; SMN2TSHRHTTATMHPGD
SCHEMBL4031705 0.79 SMN1; SMN2 (0.72) SMN1; SMN2TSHRHTTATMHPGD
SCHEMBL6313243 0.78 HPGD (0.59) SMN1; SMN2TSHRHTTATMHPGD
SCHEMBL4032572 0.74 TSHR (0.58) SMN1; SMN2TSHRHTTATMHPGD
SCHEMBL4032891 0.74 SMN1; SMN2 (0.60) SMN1; SMN2TSHRHTTATMHPGD
SCHEMBL4031536 0.72 TSHR (0.58) SMN1; SMN2TSHRHTTATMHPGD
SCHEMBL4031280 0.72 TSHR (0.58) SMN1; SMN2TSHRHTTATMHPGD
SCHEMBL4032329 0.69 KMT2A (0.49) SMN1; SMN2TSHRHTTATMHPGD
Hydrochloric Acid SCHEMBL4033613 0.68 KMT2A (0.48) SMN1; SMN2TSHRHTTATMHPGD

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 SMN1; SMN2 3217/4885TSHR 446/4885HTT 2931/4885

“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.