SCHEMBL6410552

SCHEMBL6410552

COc1ccc(CN2CCC3(CCN(CC[C@H](N)c4cccc(Cl)c4)CC3)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SIGMAR1 Q99720 4/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
DOCK5 Q9H7D0 1/20 0.39
GNRHR P30968 2/20 0.38
CCR5 P51681 2/20 0.38
GAA P10253 1/20 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
Hydrochloric Acid SCHEMBL6410022 0.99 SIGMAR1 (0.41) TP53MAPTALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL6409726 0.99 SIGMAR1 (0.41) TP53MAPTALDH1A1LMNATSHR
SCHEMBL6414701 0.90 GNRHR (0.49) ALDH1A1SIGMAR1DRD2HTR2AHTR2C
SCHEMBL6408859 0.90 SIGMAR1 (0.47) SIGMAR1DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL6409282 0.89 GNRHR (0.48) SIGMAR1DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL6409136 0.89 SIGMAR1 (0.48) SIGMAR1DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL6414709 0.89 SIGMAR1 (0.48) SIGMAR1DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL5255706 0.89 SIGMAR1 (0.48) SIGMAR1DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL6410306 0.89 SIGMAR1 (0.48) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL6408506 0.88 HCRTR2 (0.38) OPRM1OPRK1DOCK5CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 US claimed

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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 TP53 2687/4885MAPT 4525/4885ALDH1A1 869/4885

“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.