SCHEMBL17335871

SCHEMBL17335871

CC(C)c1ccc(CNC2CCCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.66
▸ POLB P06746 1/20 0.62
▸ HDAC1 Q13547 1/20 0.53
▸ CXCR4 P61073 2/20 0.50
▸ CXCL12 P48061 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ EPHX1 P07099 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ OPRM1 P35372 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ ALPL P05186 1/20 0.47
▸ ALPI P09923 1/20 0.47

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
SCHEMBL16980536 0.95 POLB (0.59) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL16980401 0.91 RAB9A (0.53) HRH3POLBNPC1RAB9A
SCHEMBL10953965 0.85 HRH3 (0.88) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL8319121 0.84 CCR2 (0.49) HRH3POLBSMN1; SMN2NPC1RAB9A
SCHEMBL14850003 0.83 SMN1; SMN2 (0.49) HRH3POLBSMN1; SMN2RAB9AOPRM1
SCHEMBL5864236 0.80 HRH3 (0.72) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL17335877 0.80 HRH3 (0.72) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL11615671 0.80 POLB (0.93) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL5863714 0.80 POLB (0.93) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL4600037 0.80 HRH3 (0.72) HRH3POLBHDAC1CXCR4CXCL12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114029-A1 TREATMENT OF CHAGAS DISEASE SYNGENE INTERNATIONAL LIMITED (IN) 2017-04-27 — — US disclosed
WO-2015189595-A1 TREATMENT OF CHAGAS DISEASE UNIVERSITY OF DUNDEE (GB) 2015-12-17 — — 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-20170114029-A1 TREATMENT OF CHAGAS DISEASE CXCR4, CBR1, CHRM1 HRH3 34/4885POLB 3304/4885HDAC1 621/4885

“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.

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