SCHEMBL1917993

SCHEMBL1917993

N#C/C=C1\c2ccccc2CCc2cc(CBr)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.35
SLC6A2 P23975 4/20 0.35
CYP3A4 P08684 4/20 0.35
CYP1A2 P05177 3/20 0.35
RET P07949 3/20 0.35
RAB9A P51151 3/20 0.35
ADRB2 P07550 2/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
ADRB1 P08588 2/20 0.35
HTR1A P08908 2/20 0.35
CHRM5 P08912 2/20 0.35
ADRA2A P08913 2/20 0.35
CYP2D6 P10635 2/20 0.35
CHRM1 P11229 2/20 0.35
DRD2 P14416 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
CHRM3 P20309 2/20 0.35
DRD1 P21728 2/20 0.35

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
SCHEMBL1917996 1.00 LMNA (0.35) LMNASLC6A2CYP3A4CYP1A2RET
SCHEMBL1918496 0.86 LMNA (0.35) LMNASLC6A2CYP3A4CYP1A2RET
SCHEMBL1918556 0.86 SRD5A1 (0.37) LMNASLC6A2CYP3A4CYP1A2RET
SCHEMBL4364540 0.86 SRD5A1 (0.37) LMNASLC6A2CYP3A4CYP1A2RET
SCHEMBL1918498 0.86 LMNA (0.35) LMNASLC6A2CYP3A4CYP1A2RET
SCHEMBL1918552 0.86 SRD5A1 (0.37) LMNASLC6A2CYP3A4CYP1A2RET
SCHEMBL1918425 0.83 HTR2B (0.45) LMNASLC6A2CYP1A2CHRM2CHRM4
SCHEMBL1918427 0.83 HTR2B (0.45) LMNASLC6A2CYP1A2CHRM2CHRM4
SCHEMBL11093221 0.82 CES1 (0.45) LMNASLC6A2CYP3A4CYP1A2RET
SCHEMBL21812503 0.81 TDP1 (0.46) LMNASLC6A2CYP3A4CYP1A2RET

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
EP-3081213-B1 TRICYCLIC COMPOUND KYOWA KIRIN CO LTD (JP) 2020-04-01 EP disclosed
US-9475805-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-10-25 US disclosed
EP-3081213-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2016-10-19 EP disclosed
US-20150291587-A1 TRICYCLIC COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-10-15 US disclosed
US-20130267711-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2013-10-10 US disclosed
US-8486980-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-07-16 US disclosed
US-20110201640-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-18 US disclosed
EP-2327690-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2011-06-01 EP 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 (3 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-20150291587-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD LMNA 1364/4885SLC6A2 3997/4885CYP3A4 1349/4885
US-20130267711-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD LMNA 1364/4885SLC6A2 3997/4885CYP3A4 1349/4885
US-20110201640-A1 TRICYCLIC COMPOUND PPARG, PPARA, PPARD LMNA 2121/4885SLC6A2 4093/4885CYP3A4 630/4885

“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.