SCHEMBL17358484

SCHEMBL17358484

CCCCN1CC[C@@H](O)[C@H](n2c3ccc(F)cc3c3cc(F)ccc32)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.45
SLC6A4 P31645 2/20 0.45
HTR1A P08908 7/20 0.41
DRD1 P21728 7/20 0.41
DRD4 P21917 7/20 0.41
DRD5 P21918 7/20 0.41
DRD3 P35462 7/20 0.41
GLB1 P16278 1/20 0.38
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
SLC18A3 Q16572 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL17358471 0.93 DRD2 (0.52) DRD2SLC6A4DRD3SLC18A3SIGMAR1
SCHEMBL15873516 0.86 KCNH2 (0.38) DRD2SLC6A4SLC18A3SIGMAR1
SCHEMBL15873565 0.84 PAX8 (0.41) DRD2SLC6A4SLC18A3SIGMAR1
SCHEMBL15873605 0.82 PER2 (0.43) DRD2SLC6A4
SCHEMBL15875726 0.82 SIGMAR1 (0.40) DRD2SLC6A4SLC18A3SIGMAR1
SCHEMBL15873566 0.82 SIGMAR1 (0.40) DRD2SLC6A4SLC18A3SIGMAR1
SCHEMBL15873542 0.82 SLC18A3 (0.44) DRD2SLC18A3SIGMAR1
SCHEMBL17358472 0.81 HTR6 (0.40) DRD2SLC6A4
SCHEMBL17358483 0.81 PER2 (0.38) DRD2SLC6A4SLC18A3SIGMAR1
SCHEMBL17358485 0.79 SLC18A3 (0.56) SLC18A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908863-B2 Piperidinylcarbazoles MERCK PATENT GMBH (DE) 2018-03-06 US disclosed
US-20150368226-A1 PIPERIDINYLCARBAZOLES MERCK PATENT GMBH (DE) 2015-12-24 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 (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-20150368226-A1 PIPERIDINYLCARBAZOLES PSEN1, ARG2, UQCRC1 DRD2 3092/4885SLC6A4 4186/4885HTR1A 2330/4885

“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.