SCHEMBL29361990

SCHEMBL29361990

COc1cc(I)ccc1C1CCC(N2CCNCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ABCB1 P08183 1/20 0.44
HTR2C P28335 3/20 0.43
TRPV6 Q9H1D0 2/20 0.41
HTR1A P08908 2/20 0.40
ADRA1D P25100 4/20 0.39
ADRA1A P35348 4/20 0.39
ADRA1B P35368 4/20 0.39
DRD2 P14416 3/20 0.38
HTR2A P28223 2/20 0.38
KHK P50053 1/20 0.36
HTR7 P34969 1/20 0.36

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
Tert-Butyl Formate SCHEMBL25192435 0.89 KMT2A (0.37) HPGDKMT2ASMN1; SMN2ABCB1HTR2C
SCHEMBL17376358 0.83 HTR2C (0.61) HTR2CHTR1AHTR2A
SCHEMBL15901130 0.82 HTR2C (0.43) KMT2AHTR2CDRD2HTR2A
SCHEMBL25192434 0.76 ABCB1 (0.40) KMT2AABCB1TRPV6HTR1AADRA1D
SCHEMBL25191447 0.76 STS (0.44) KMT2AABCB1TRPV6
SCHEMBL8105199 0.74 HTR7 (0.56) HTR2CHTR1ADRD2HTR7
SCHEMBL19288830 0.73 HPGD (0.52) HPGDKMT2ASMN1; SMN2ABCB1HTR2C
SCHEMBL20180449 0.69 HTR6 (0.61) HTR2CHTR1AADRA1BDRD2HTR7
SCHEMBL23944138 0.68 MEN1 (0.53) KMT2AHTR2C
SCHEMBL10036163 0.68 HTR1D (0.49) ABCB1ADRA1DADRA1AADRA1BDRD2

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-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY CYTOSINLAB THERAPEUTICS CO., LTD. (CN) 2023-10-26 US disclosed
EP-4186901-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY Cytosinlab Therapeutics Co., Ltd. (CN) 2023-05-31 EP disclosed
WO-2022017434-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY 上海赛岚生物科技有限公司 2022-01-27 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-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY FLT3, ERBB2, ABL1 HPGD 4284/4885KMT2A 887/4885SMN1; SMN2 4360/4885

“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.