SCHEMBL1099798

SCHEMBL1099798

CC(C)CN1CCC(c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 5/20 0.67
DRD2 P14416 1/20 0.62
CARM1 Q86X55 1/20 0.57
PRMT6 Q96LA8 1/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
CCR5 P51681 1/20 0.51
GRM2 Q14416 1/20 0.51

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
SCHEMBL23374659 0.91 SLC18A3 (0.56) SLC18A3DRD2CARM1PRMT6MEN1
SCHEMBL12768109 0.91 SLC18A3 (0.56) SLC18A3DRD2CARM1PRMT6MEN1
SCHEMBL12447397 0.91 SLC18A3 (0.56) SLC18A3DRD2CARM1PRMT6MEN1
SCHEMBL23374690 0.84 SLC18A3 (0.49) SLC18A3DRD2
SCHEMBL11063274 0.83 SLC18A3 (0.60) SLC18A3DRD2CARM1PRMT6MEN1
SCHEMBL18212456 0.83 SLC18A3 (0.46) SLC18A3DRD2CARM1PRMT6CCR5
SCHEMBL6247690 0.83 SLC18A3 (0.57) SLC18A3DRD2
SCHEMBL8104014 0.83 DRD2 (0.68) SLC18A3DRD2CARM1PRMT6MEN1
SCHEMBL23374714 0.81 DRD2 (0.65) SLC18A3DRD2KMT2ASIGMAR1
SCHEMBL23374534 0.81 DRD2 (0.65) SLC18A3DRD2KMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548870-B2 Compounds useful as inhibitors of helios protein BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-10 US disclosed
US-20210147383-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN BRISTOL-MYERS SQUIBB COMPANY 2021-05-20 US disclosed
US-8153817-B2 Synthesis of methyl nonactate derivatives OHIO UNIVERSITY (US) 2012-04-10 US disclosed
US-8153817-B2 Synthesis of methyl nonactate derivatives OHIO UNIVERSITY (US) 2012-04-10 US disclosed
US-20100056779-A1 SYNTHESIS OF METHYL NONACTATE DERIVATIVES OHIO UNIVERSITY (US) 2010-03-04 US disclosed
US-20100056779-A1 SYNTHESIS OF METHYL NONACTATE DERIVATIVES OHIO UNIVERSITY (US) 2010-03-04 US disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 US disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 US disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 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 (4 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-20210147383-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN IKZF2, RPL6, HNRNPR SLC18A3 4634/4885DRD2 4824/4885CARM1 589/4885
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 SLC18A3 1805/4885DRD2 352/4885CARM1 935/4885
US-20100056779-A1 SYNTHESIS OF METHYL NONACTATE DERIVATIVES AZI2, TET3, TET1 SLC18A3 3122/4885DRD2 613/4885CARM1 736/4885
US-11548870-B2 Compounds useful as inhibitors of helios protein IKZF2, RPL6, HNRNPR SLC18A3 4634/4885DRD2 4824/4885CARM1 589/4885

“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.