SCHEMBL16307375

SCHEMBL16307375

CCN1CCC(N(CC2CCCCC2)c2ccccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.53
NPC1 O15118 1/20 0.39
OPRM1 P35372 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.37
HTR1A P08908 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL16307369 0.81 OPRM1 (0.43) CCR5OPRM1HTR1ADRD4HTR2A
SCHEMBL13687227 0.75 GRIN2B (0.57) CCR5OPRM1HTR2A
SCHEMBL8018027 0.74 CYP2D6 (0.47) NPC1LMNASMN1; SMN2TRPM8ALDH1A1
SCHEMBL24538034 0.73 OPRM1 (0.46) OPRM1HTR1ADRD4HTR2AADRA1A
SCHEMBL22100705 0.73 CCR5 (0.52) CCR5NPC1LMNASMN1; SMN2TRPM8
SCHEMBL13543051 0.72 SLC6A2 (0.47) CCR5HTR1A
SCHEMBL8808223 0.71 SMN1; SMN2 (0.58) NPC1LMNASMN1; SMN2TRPM8HTR2A
SCHEMBL8629811 0.67 CCR5 (0.52) CCR5NPC1LMNASMN1; SMN2TRPM8
SCHEMBL13800059 0.66 OPRM1 (0.49) OPRM1HTR1ADRD4HTR2AADRA1A
SCHEMBL10819399 0.66 DRD4 (0.54) DRD4ADRA1AADRA1B

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
US-9944603-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-04-17 US disclosed
US-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2017-11-02 US disclosed
US-9771327-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2017-09-26 US disclosed
US-20140371263-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-12-18 US disclosed
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-12-18 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 (3 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-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE CCR5 313/4885NPC1 52/4885OPRM1 2919/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE CCR5 313/4885NPC1 52/4885OPRM1 2919/4885
US-20140371263-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, ABCB11 CCR5 494/4885NPC1 21/4885OPRM1 3068/4885

“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.