SCHEMBL2336412

SCHEMBL2336412

COCC(=O)N1C[C@H](CN2CCC3(CC2)CCN(Cc2ccc(OC)cc2)C3=O)[C@@H](c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 10/20 0.47
CYP2D6 P10635 3/20 0.43
GHSR Q92847 1/20 0.41
NMT2 O60551 1/20 0.41
NMT1 P30419 1/20 0.41
TSHR P16473 3/20 0.40
CYP3A4 P08684 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 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
SCHEMBL2342251 1.00 CCR5 (0.47) CCR5CYP2D6GHSRNMT2NMT1
Hydrochloric Acid SCHEMBL2334535 0.99 CCR5 (0.46) CCR5CYP2D6GHSRNMT2NMT1
Hydrochloric Acid SCHEMBL2334537 0.99 CCR5 (0.46) CCR5CYP2D6GHSRNMT2NMT1
SCHEMBL2334913 0.93 CCR5 (0.47) CCR5CYP2D6NMT2NMT1TSHR
SCHEMBL2334921 0.93 CCR5 (0.47) CCR5CYP2D6NMT2NMT1TSHR
SCHEMBL14371156 0.92 CCR5 (0.46) CCR5CYP2D6NMT2NMT1TSHR
SCHEMBL2340053 0.92 CCR5 (0.46) CCR5CYP2D6NMT2NMT1TSHR
Hydrochloric Acid SCHEMBL2340798 0.92 CCR5 (0.47) CCR5CYP2D6NMT2NMT1TSHR
Hydrochloric Acid SCHEMBL2340796 0.92 CCR5 (0.47) CCR5CYP2D6NMT2NMT1TSHR
Hydrochloric Acid SCHEMBL2343485 0.91 CCR5 (0.45) CCR5CYP2D6NMT2NMT1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786815-B1 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC (CA) 2011-08-24 EP claimed
US-7288548-B2 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2007-10-30 US claimed
US-20050070563-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2005-03-31 US claimed
US-7288548-B2 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2007-10-30 US disclosed
US-7288548-B2 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2007-10-30 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-20050070563-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CCR5, CXCR2 CCR5 2/4885CYP2D6 1183/4885GHSR 255/4885

“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.