SCHEMBL14924418

SCHEMBL14924418

Cc1ccc(C(=O)NC2CCN(C(C)C)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.70
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
CYP1A2 P05177 1/20 0.63
HPGD P15428 1/20 0.63
CYP2C19 P33261 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
LMNA P02545 1/20 0.61
ACKR3 P25106 1/20 0.61
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL10168782 0.92 HRH3 (0.70) HRH3NPC1RAB9ACYP1A2HPGD
SCHEMBL21940956 0.88 HRH3 (0.70) HRH3ACKR3ALDH1A1
SCHEMBL20147581 0.87 HRH3 (0.68) HRH3NPC1RAB9AACKR3KMT2A
SCHEMBL14923986 0.87 HRH3 (0.68) HRH3LMNAALDH1A1
SCHEMBL18389994 0.87 HRH3 (0.67) HRH3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14679122 0.85 NPC1 (0.58) HRH3NPC1RAB9ACYP1A2HPGD
SCHEMBL16314580 0.83 NPC1 (0.69) NPC1RAB9ACYP1A2HPGDCYP2C19
SCHEMBL10195592 0.83 NPC1 (0.69) NPC1RAB9ACYP1A2HPGDCYP2C19
SCHEMBL241843 0.82 RAB9A (0.83) NPC1RAB9ACYP1A2HPGDCYP2C19
SCHEMBL8362540 0.82 RAB9A (0.83) NPC1RAB9ACYP1A2HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411396-A1 TRIOXOLANE AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-12-29 US disclosed
US-11072594-B2 Trioxolane agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-27 US disclosed
US-20200140406-A1 TRIOXOLANE AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-05-07 US disclosed
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 US disclosed
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2016-08-11 US disclosed
US-9345719-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2016-05-24 US disclosed
US-8957065-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD (KR) 2015-02-17 US disclosed
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD. (KR) 2013-05-09 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 (5 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-20220411396-A1 TRIOXOLANE AGENTS ABCB4, SLC10A1, SLC10A2 HRH3 2136/4885NPC1 252/4885RAB9A 2056/4885
US-11072594-B2 Trioxolane agents ABCB4, SLC10A1, SLC10A2 HRH3 2136/4885NPC1 252/4885RAB9A 2056/4885
US-20200140406-A1 TRIOXOLANE AGENTS ABCB4, SLC10A1, SLC10A2 HRH3 2136/4885NPC1 252/4885RAB9A 2056/4885
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, LTK, FYN HRH3 1824/4885NPC1 4547/4885RAB9A 1938/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 HRH3 1748/4885NPC1 4566/4885RAB9A 2172/4885

“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.