SCHEMBL6409014

SCHEMBL6409014

NC(CCN1CCC2(CC1)CCN(Cc1ccccc1)C2=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RIPK1 Q13546 1/20 0.43
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
SIGMAR1 Q99720 5/20 0.42
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
TACR1 P25103 2/20 0.41
OPRL1 P41146 3/20 0.40
OPRM1 P35372 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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 SCHEMBL5304374 0.99 CCR3 (0.45) CCR3MEN1KMT2ARIPK1HCRTR1
Hydrochloric Acid SCHEMBL6430719 0.92 OPRM1 (0.45) CCR3MEN1KMT2ASIGMAR1TACR1
Hydrochloric Acid SCHEMBL6417628 0.92 OPRM1 (0.45) CCR3MEN1KMT2ASIGMAR1TACR1
SCHEMBL6411982 0.92 HSD11B1 (0.43) CCR3MEN1KMT2ARIPK1HCRTR1
Hydrochloric Acid SCHEMBL6409417 0.91 HSD11B1 (0.42) CCR3MEN1KMT2ARIPK1HCRTR1
Hydrochloric Acid SCHEMBL6416497 0.91 HSD11B1 (0.42) CCR3MEN1KMT2ARIPK1HCRTR1
Hydrochloric Acid SCHEMBL6409309 0.91 CCR2 (0.50) CCR3MEN1KMT2ARIPK1HCRTR1
Hydrochloric Acid SCHEMBL6409945 0.91 CCR3 (0.51) CCR3MEN1KMT2ARIPK1SIGMAR1
SCHEMBL6409581 0.90 HCRTR2 (0.48) CCR3MEN1KMT2AHCRTR1HCRTR2
SCHEMBL6417635 0.90 HCRTR2 (0.48) CCR3MEN1KMT2AHCRTR1HCRTR2

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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 US claimed
US-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 CCR3 13/4885MEN1 4007/4885KMT2A 4587/4885

“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.