SCHEMBL12548441

SCHEMBL12548441

CC1CC2(CCNCC2)c2cc(F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ KDM1A O60341 4/20 0.36
▸ HTR6 P50406 3/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ POLB P06746 1/20 0.34

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
SCHEMBL12547990 0.83 KDM1A (0.37) HTR2CKDM1AHTR1ASLC6A2SLC6A4
SCHEMBL12548295 0.82 HTR2C (0.44) HTR2CHTR2AKDM1AHTR1ASLC6A2
SCHEMBL13305474 0.81 CHRNA7 (0.40) HTR2CHTR2A
SCHEMBL6393621 0.81 CHRNA7 (0.40) HTR2CHTR2A
SCHEMBL14828385 0.81 CHRNA7 (0.40) HTR2CHTR2A
SCHEMBL1223026 0.74 HSD11B1 (0.43) DPP4
SCHEMBL12547988 0.74 CHRNB2 (0.36) HTR2CKDM1ACHRNB2CHRNA4POLB
SCHEMBL1952794 0.73 HSD11B1 (0.37) KDM1AHTR6DPP4
Hydrochloric Acid SCHEMBL31693850 0.73 HSD11B1 (0.42) DPP4
SCHEMBL12547984 0.73 HTR2C (0.48) HTR2CHTR2AKDM1AHTR1ASLC6A2

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-8383629-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2013-02-26 — — US disclosed
US-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 VITAE PHARMACEUTICALS INC. 2011-06-09 — — 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-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 HSD11B1, HSD17B1, HSD3B1 HTR2C 2655/4885HTR2A 2835/4885KDM1A 1705/4885

“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.

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