SCHEMBL4771516

SCHEMBL4771516

Cc1ccc(NCCCN2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.62
PRMT6 Q96LA8 2/20 0.60
CARM1 Q86X55 1/20 0.60
KCNH2 Q12809 1/20 0.59
CCR3 P51677 5/20 0.58
SIGMAR1 Q99720 2/20 0.58
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
SLC6A2 P23975 3/20 0.55
SLC6A4 P31645 2/20 0.55
FAAH O00519 1/20 0.55
SLC6A3 Q01959 1/20 0.55

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 SCHEMBL7193482 0.99 TMEM97 (0.61) TMEM97PRMT6CARM1KCNH2CCR3
Hydrochloric Acid SCHEMBL6056725 0.99 TMEM97 (0.61) TMEM97PRMT6CARM1KCNH2CCR3
SCHEMBL4786744 0.91 CCR3 (0.67) TMEM97PRMT6CARM1KCNH2CCR3
Hydrochloric Acid SCHEMBL7195898 0.90 CCR3 (0.66) TMEM97PRMT6CARM1KCNH2CCR3
Hydrochloric Acid SCHEMBL5756731 0.90 CCR3 (0.66) TMEM97PRMT6CARM1KCNH2CCR3
SCHEMBL4773706 0.89 CCR3 (0.59) CCR3
Hydrochloric Acid SCHEMBL7192822 0.88 CCR3 (0.58) CCR3
Hydrochloric Acid SCHEMBL7469970 0.86 SLC6A2 (0.63) TMEM97PRMT6CARM1KCNH2CCR3
Hydrochloric Acid SCHEMBL7468087 0.86 CCR3 (0.59) TMEM97PRMT6CARM1KCNH2CCR3
Hydrochloric Acid SCHEMBL7469953 0.86 CCR3 (0.56) TMEM97PRMT6CARM1KCNH2CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348324-B2 Cyclic amine compounds as CCR5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-25 US disclosed
EP-1886994-A1 Cyclic amine compounds as CCR5 antagonists Takeda Pharmaceutical Company Limited (JP) 2008-02-13 EP disclosed
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists TOBIRA THERAPEUTICS, INC. 2003-06-19 US disclosed
EP-1220842-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-10 EP disclosed
EP-1180513-A1 CYCLIC AMIDE COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-20 EP disclosed
WO-2001025200-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-12 WO 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-20030114443-A1 Cyclic amine compounds as CCR5 antagonists CCR5, CCR1, CCR3 TMEM97 1672/4885PRMT6 682/4885CARM1 549/4885

“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.