SCHEMBL6935362

SCHEMBL6935362

c1cc(C2CC2)cc(C2CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.52
HDAC4 P56524 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
KMO O15229 1/20 0.48
SLC18A3 Q16572 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
NOTUM Q6P988 2/20 0.44
POLB P06746 1/20 0.42
DRD2 P14416 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GRIN2B Q13224 1/20 0.40

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
SCHEMBL5666805 0.89 KMO (0.62) HTR2CHDAC4HDAC2HDAC8KMO
SCHEMBL778529 0.88 HDAC4 (0.63) HTR2CHDAC4HDAC2HDAC8KMO
SCHEMBL5667650 0.85 KMO (0.64) HTR2CHDAC4HDAC2HDAC8KMO
SCHEMBL669730 0.85 KMO (0.64) HTR2CHDAC4HDAC2HDAC8KMO
SCHEMBL24199719 0.84 HTR2C (0.42) HTR2CHDAC4HDAC2HDAC8KMO
SCHEMBL1608042 0.84 DRD2 (0.59) HDAC4HDAC2HDAC8SIGMAR1DRD2
SCHEMBL1515269 0.84 HTR2C (0.74) HTR2CHDAC4NOTUMDRD2
SCHEMBL957833 0.84 KDM1A (0.55) HTR2CHDAC4HDAC2HDAC8KMO
SCHEMBL1515236 0.84 HTR2C (0.47) HTR2CHDAC4HDAC2HDAC8
SCHEMBL19671564 0.84 HTR2C (0.42) HTR2CHDAC4HDAC2HDAC8KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203055-A1 FUSED RING COMPOUND AND APPLICATION THEREOF IN MEDICINE BETTA PHARMACEUTICALS CO., LTD (CN) 2023-06-29 US disclosed
EP-1101756-B1 Aminopyrrolidine derivatives, processes for their preparation and pharmaceutical compositions comprising them SERVIER LAB (FR) 2003-03-19 EP disclosed
US-6300366-B1 FOR THERAPY OF CARDIOVASCULAR DISEASES, ESPECIALLY ARTERIAL HYPERTENSION, ARRHYTHMIA ADIR ET COMPAGNIE (FR) 2001-10-09 US disclosed
EP-1101756-A1 Aminopyrrolidine derivatives, processes for their preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 2001-05-23 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 (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-20230203055-A1 FUSED RING COMPOUND AND APPLICATION THEREOF IN MEDICINE VIP, CYP11B2, CYP11B1 HTR2C 4362/4885HDAC4 787/4885HDAC2 1072/4885

“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.