SCHEMBL6405842

SCHEMBL6405842

CN1CCN(C2CCCc3ccc(C4CCCN(C(=O)c5ccc(C(F)(F)F)cc5)C4)cc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 4/20 0.50
PDE2A O00408 1/20 0.43
PDE3A Q14432 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
EPHX2 P34913 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
MTNR1B P49286 1/20 0.41
MAP3K12 Q12852 1/20 0.40
CNR1 P21554 2/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
HIF1A Q16665 1/20 0.40
CNR2 P34972 1/20 0.40
SLC9A1 P19634 1/20 0.39

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
SCHEMBL6405935 0.91 EPHX2 (0.46) MEN1KMT2AHPGDEPHX2TSHR
SCHEMBL22411195 0.91 EPHX2 (0.46) MEN1KMT2AHPGDEPHX2TSHR
SCHEMBL6413104 0.86 CNR1 (0.44) PROKR1KMT2AHPGDTSHRALDH1A1
SCHEMBL6405961 0.86 HPGD (0.46) PROKR1KMT2AHPGDALDH1A1MTNR1B
SCHEMBL6409562 0.78 SLC6A2 (0.50) MTNR1B
SCHEMBL6407049 0.78 CNR1 (0.56) MEN1KMT2AEPHX2MAPTCNR1
SCHEMBL6404942 0.75 SIGMAR1 (0.49) MTNR1BCNR1CNR2
SCHEMBL6405785 0.75 HTR2C (0.49) KMT2AMTNR1B
SCHEMBL4030726 0.74 PROKR1 (0.57) PROKR1PDE2APDE3AMEN1KMT2A
SCHEMBL6403192 0.73 QDPR (0.47) MTNR1BCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists PFIZER INC 2005-12-29 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 (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-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists HTR1A, HTR1B, HTR1D PROKR1 220/4885PDE2A 977/4885PDE3A 949/4885

“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.