SCHEMBL3118604

SCHEMBL3118604

C=CCN1CCC(O)(c2ccc(F)cc2F)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
DRD2 P14416 7/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
RORC P51449 1/20 0.36
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
OPRL1 P41146 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD4 P21917 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
ADRA1B P35368 1/20 0.34
DRD3 P35462 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
SCHEMBL3114087 0.87 DRD2 (0.40) DRD2SIGMAR1HTR2AHTR2CHTR1A
SCHEMBL3113227 0.87 DRD2 (0.45) TSHRDRD2HTR2AHTR2COPRL1
SCHEMBL3124221 0.82 MC4R (0.40) DRD2SIGMAR1HTR2AHTR2COPRL1
SCHEMBL3113630 0.80 DRD2 (0.42) DRD2SIGMAR1HTR2AHTR2CHTR1A
SCHEMBL3113311 0.79 CYP2D6 (0.46) TSHRDRD2OPRL1DRD4DRD3
SCHEMBL3113243 0.79 SIGMAR1 (0.40) TSHRDRD2MEN1KMT2ASIGMAR1
SCHEMBL3121837 0.78 DRD2 (0.43) DRD2SIGMAR1HTR2AHTR2CHTR1A
SCHEMBL1822721 0.78 KMT2A (0.54) TSHRMEN1KMT2ARORCOPRL1
SCHEMBL3113271 0.78 TSHR (0.41) TSHRDRD2KMT2ASIGMAR1RORC
SCHEMBL3121910 0.77 TSHR (0.42) TSHRDRD2KMT2ARORCHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155671-B1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RES LABORATORIES SWEDEN AB (SE) 2017-12-20 EP disclosed
US-8188301-B2 Disubstituted phenylpyrrolidines as modulators of cortical catecholaminergic neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2012-05-29 US disclosed
US-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DK) 2010-07-15 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-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION PNMT, DBH, SLC6A2 TSHR 2108/4885DRD2 9/4885MEN1 2078/4885

“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.