SCHEMBL4228551

SCHEMBL4228551

c1ccc2c(c1)CCc1ncccc1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
DRD2 P14416 4/20 0.42
DRD3 P35462 4/20 0.42
DRD1 P21728 2/20 0.42
DRD4 P21917 2/20 0.42
DRD5 P21918 1/20 0.42
GRIN1 Q05586 6/20 0.37
GRIN2B Q13224 6/20 0.37
TSHR P16473 2/20 0.37
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP19A1 P11511 2/20 0.35
CHRM2 P08172 2/20 0.35
HTR1A P08908 2/20 0.35
CHRM1 P11229 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
SCHEMBL7255805 0.85 CYP2A6 (0.45) CYP2A6DRD2DRD3DRD1DRD4
SCHEMBL21479447 0.85 ALOX15 (0.40) DRD2DRD3DRD1DRD4DRD5
SCHEMBL8348677 0.84
SCHEMBL17413659 0.84 DRD2 (0.42) DRD2DRD3GRIN1GRIN2BTSHR
Bromide SCHEMBL8777272 0.82 DRD2 (0.41) DRD2DRD3GRIN1GRIN2BTSHR
Hydrochloric Acid SCHEMBL8777224 0.82 DRD2 (0.41) DRD2DRD3GRIN1GRIN2BTSHR
SCHEMBL9948370 0.79 ALOX15 (0.36) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10665026 0.78 CYP2A6 (0.52) CYP2A6DRD2DRD3GRIN1GRIN2B
SCHEMBL7424121 0.77
SCHEMBL250734 0.76 CYP2A6 (0.65) CYP2A6DRD2DRD3DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256468-B1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO LTD (CN) 2020-04-08 EP disclosed
US-10183917-B2 Tricyclic compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-01-22 US disclosed
US-20180030003-A1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-02-01 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
EP-1458684-A2 THERAPEUTIC HETEROCYCLES AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003051276-A2 THERAPEUTIC HETEROCYCLES ASTRAZENECA AB (SE) 2003-06-26 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 (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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 CYP2A6 359/4885DRD2 2300/4885DRD3 1711/4885
US-20180030003-A1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE NR1H4, SLC10A1, SLC10A2 CYP2A6 251/4885DRD2 3972/4885DRD3 2879/4885
US-10183917-B2 Tricyclic compounds and uses thereof in medicine NR1H4, SLC10A1, SLC10A2 CYP2A6 251/4885DRD2 3972/4885DRD3 2879/4885

“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.