SCHEMBL9893030

SCHEMBL9893030

CCC1C[C@@H](O)CN1c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.43
CCR1 P32246 2/20 0.43
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
ADRA2B P18089 1/20 0.43
SLC6A4 P31645 1/20 0.43
MDM2 Q00987 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
OPRK1 P41145 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
PSEN1 P49768 3/20 0.35
PSEN2 P49810 3/20 0.35
APH1B Q8WW43 3/20 0.35
NCSTN Q92542 3/20 0.35
APH1A Q96BI3 3/20 0.35
PSENEN Q9NZ42 3/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL16480433 0.79 CNR1 (0.42) DRD4CCR1TMEM97SIGMAR1ADRA2B
SCHEMBL9891887 0.75 CNR2 (0.45) DRD4CCR1TMEM97SIGMAR1ADRA2B
SCHEMBL9892854 0.74 PSEN1 (0.44) SIGMAR1MDM2ADAMTS5DRD2PSEN1
SCHEMBL3806525 0.72 DRD4 (0.53) DRD4CCR1TMEM97SIGMAR1ADRA2B
SCHEMBL3806529 0.72 DRD4 (0.53) DRD4CCR1TMEM97SIGMAR1ADRA2B
SCHEMBL9892986 0.71 FFAR1 (0.55) DRD2PSEN1PSEN2APH1BNCSTN
SCHEMBL5850115 0.70 GBA1 (0.37) DRD4CCR1TMEM97SIGMAR1ADRA2B
SCHEMBL24681133 0.70 MDM2 (0.34) DRD4MDM2CNR1ADAMTS5DRD2
Hydrochloric Acid SCHEMBL6098345 0.69 KDM4E (0.31) KMT2AKDM4E
SCHEMBL5631907 0.68 SLC6A2 (0.50) SIGMAR1SLC6A4

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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 DRD4 443/4885CCR1 158/4885TMEM97 574/4885

“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.