SCHEMBL6007331

SCHEMBL6007331

NC(CCN1CCC(C(=O)Cc2ccccc2)CC1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 8/20 0.52
KCNA3 P22001 1/20 0.47
S1PR5 Q9H228 1/20 0.46
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
HTR2A P28223 1/20 0.46
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL5758023 0.82 HTR2A (0.61) CCR5KCNA3HTR2A
SCHEMBL5634565 0.82 EGFR (0.48) CCR5KCNA3
SCHEMBL27474479 0.82 TP53 (0.50) CCR5KCNA3
SCHEMBL14514117 0.82 EGFR (0.48) CCR5KCNA3
Hydrochloric Acid SCHEMBL6008822 0.81 HTR2A (0.60) CCR5KCNA3HTR2A
SCHEMBL6657922 0.80 ABL1 (0.68) S1PR5ABL1RIN1SIGMAR1
Hydrochloric Acid SCHEMBL9166082 0.78 ABL1 (0.66) S1PR5ABL1RIN1SIGMAR1
SCHEMBL5756545 0.78 CARM1 (0.64) SIGMAR1
SCHEMBL5760363 0.77 HTR2A (0.61) HTR2A
SCHEMBL14514069 0.77 KCNA3 (0.44) CCR5KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078537-B2 Phenylalkyl diamine and amide analogs SK CORPORATION (KR) 2006-07-18 US claimed
US-7078537-B2 Phenylalkyl diamine and amide analogs SK CORPORATION (KR) 2006-07-18 US disclosed
US-20030105079-A1 Novel phenylalkyl diamine and amide analogs SK BIOPHARMACEUTICALS CO., LTD. (KR) 2003-06-05 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-20030105079-A1 Novel phenylalkyl diamine and amide analogs SIGMAR1, TAAR1, OPRL1 CCR5 796/4885KCNA3 785/4885S1PR5 491/4885

“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.