SCHEMBL18611151

SCHEMBL18611151

c1cc(-c2ccc(COC3CCCC3)cc2)cc(N2CCNCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.57
HTR1A P08908 7/20 0.57
AXL P30530 1/20 0.47
MERTK Q12866 1/20 0.47
TP53 P04637 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
USP2 O75604 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRB1 P08588 3/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
SLC6A4 P31645 2/20 0.42
HTR2B P41595 2/20 0.42
HTR3A P46098 2/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL18611720 0.86 AGXT (0.51) AXLMERTKCARM1PRMT6NAAA
SCHEMBL18611152 0.77 CXCR4 (0.51) CARM1PRMT6SIGMAR1
SCHEMBL18617087 0.76 NTRK1 (0.48) AXLMERTKNAAA
SCHEMBL18611693 0.75 HSD17B1 (0.52) CYP3A4CARM1PRMT6CYP2C9NAAA
SCHEMBL30022113 0.74 HTR7 (1.00) HTR7HTR1ATP53CYP1A2CYP3A4
SCHEMBL1914606 0.74 HTR7 (1.00) HTR7HTR1ATP53CYP1A2CYP3A4
SCHEMBL18615743 0.74 NAAA (0.58) HTR7ALDH1A1HTR2AHTR2CSLC6A4
SCHEMBL5535392 0.73 SLC6A2 (0.63) HTR7HTR1AHTR2AHTR2CSLC6A4
SCHEMBL18616256 0.73 DRD4 (0.56) ALDH1A1TSHRHTR2AHTR2CHTR2B
SCHEMBL18616193 0.73 CARM1 (0.45) CARM1PRMT6NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2023-01-05 US disclosed
US-10947215-B2 Heteroaryl compounds and their use as therapeutic drugs DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2021-03-16 US disclosed
EP-3344613-B1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2020-03-04 EP disclosed
US-20190119252-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2019-04-25 US disclosed
US-20170355690-A9 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2017-12-14 US disclosed
US-20170066742-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO LTD (KR) 2017-03-09 US disclosed
WO-2017039331-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2017-03-09 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 (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-20170355690-A9 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC HTR7 1904/4885HTR1A 2823/4885AXL 30/4885
US-10947215-B2 Heteroaryl compounds and their use as therapeutic drugs MERTK, ERBB2, SRC HTR7 1904/4885HTR1A 2823/4885AXL 30/4885
US-20190119252-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC HTR7 1904/4885HTR1A 2823/4885AXL 30/4885
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC HTR7 1904/4885HTR1A 2823/4885AXL 30/4885
US-20170066742-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC HTR7 1904/4885HTR1A 2823/4885AXL 30/4885

“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.