SCHEMBL23920265

SCHEMBL23920265

CCC1=Nc2ccc(C)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
HTR2C P28335 1/20 0.35
RAB9A P51151 3/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 2/20 0.33
NPC1 O15118 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
METAP1 P53582 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL22085081 0.85 SHMT2 (0.33) RAB9AKMT2AKDM4EMAPTPKM
SCHEMBL29292252 0.81 PDE3B (0.35) PDE3BPDE3AHTR2CRAB9AKMT2A
SCHEMBL10354186 0.76 PDE3B (0.41) PDE3BPDE3AHTR2CRAB9AKMT2A
SCHEMBL9178902 0.76 KMT2A (0.32) RAB9AKMT2AKDM4EMAPTPKM
SCHEMBL23920288 0.76 CYP2A6 (0.39) HTR2CNOS3NOS1NOS2
SCHEMBL9724257 0.76 PDE3B (0.40) PDE3BPDE3AHTR2CRAB9AKMT2A
SCHEMBL822111 0.75 HRH4 (0.40) RAB9AKMT2AKDM4EMAPTPKM
SCHEMBL822344 0.74
SCHEMBL9180722 0.73 KMT2A (0.40) RAB9AKMT2AKDM4EMETAP1MAPK1
SCHEMBL13160614 0.70 CTSD (0.38) HTR2CRAB9AKDM4EMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3892623-B1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF KOREA RES INST CHEMICAL TECH (KR) 2024-07-10 EP disclosed
US-20230190717-A1 P38 GAMMA INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE 2023-06-22 US disclosed
EP-3892623-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF Korea Research Institute of Chemical Technology (KR) 2021-10-13 EP disclosed
US-9120779-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2015-09-01 US disclosed
US-20110237579-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-09-29 US 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 (2 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-20230190717-A1 P38 GAMMA INHIBITORS AND METHOD OF USE THEREOF CDC42BPG, MAPK1, MAPK7 PDE3B 1644/4885PDE3A 1727/4885HTR2C 4471/4885
US-20110237579-A1 INHIBITORS OF HCV NS5A MAVS, HAVCR2, EIF2AK2 PDE3B 3831/4885PDE3A 4091/4885HTR2C 2014/4885

“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.