SCHEMBL5737237

SCHEMBL5737237

CN1CCN(c2cccc(Cl)c2CC2OCCN(c3ccc(C(C)(C)C)cc3)C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.39
DRD2 P14416 4/20 0.38
DRD3 P35462 3/20 0.38
HTR1A P08908 2/20 0.35
HTR2A P28223 2/20 0.35
DRD4 P21917 1/20 0.35
HTR2C P28335 1/20 0.35
KCNH2 Q12809 1/20 0.34
BCL2A1 Q16548 2/20 0.34
CCNK O75909 1/20 0.33
CCND3 P30281 1/20 0.33
CDK9 P50750 1/20 0.33
CDK6 Q00534 1/20 0.33
BRD4 O60885 1/20 0.33
F9 P00740 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
DGAT1 O75907 1/20 0.32

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
Hydrochloric Acid SCHEMBL6405313 0.99 HSD11B1 (0.38) HSD11B1DRD2DRD3HTR1AHTR2A
SCHEMBL5739775 0.89 HSD11B1 (0.37) HSD11B1DRD2DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL6405378 0.88 HSD11B1 (0.37) HSD11B1DRD2DRD3HTR1AHTR2A
SCHEMBL5611716 0.85 DRD2 (0.39) HSD11B1DRD2DRD3HTR1AHTR2A
SCHEMBL5592512 0.85 DRD2 (0.39) HSD11B1DRD2DRD3HTR1AHTR2A
SCHEMBL5592486 0.85 DRD2 (0.39) HSD11B1DRD2DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL5739570 0.84 DRD2 (0.38) HSD11B1DRD2DRD3HTR1AHTR2A
SCHEMBL5738823 0.81 POLB (0.37) HSD11B1DRD2DRD3KCNH2BCL2A1
SCHEMBL5811923 0.81 DGAT1 (0.35) HSD11B1DRD2DRD3KCNH2CCNK
Hydrochloric Acid SCHEMBL6407510 0.81 POLB (0.36) HSD11B1DRD2DRD3HTR1AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697353-A2 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS WITH AFFINITY FOR 5-HT1 RECEPTORS Pfizer Products Incorporated (US) 2006-09-06 EP claimed
US-20050227980-A1 Aralkyl and aralkylidene heterocyclic lactam and imides PFIZER INC. 2005-10-13 US claimed
US-20050227981-A1 Aralkyl and aralkylidene heterocyclic lactam and imides PFIZER INC 2005-10-13 US claimed
WO-2005061491-A2 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS WITH AFFINITY FOR 5-HT1 RECEPTORS PFIZER PRODUCTS INC. (US) 2005-07-07 WO claimed
EP-1697353-A2 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS WITH AFFINITY FOR 5-HT1 RECEPTORS Pfizer Products Incorporated (US) 2006-09-06 EP disclosed
US-20050227980-A1 Aralkyl and aralkylidene heterocyclic lactam and imides PFIZER INC. 2005-10-13 US disclosed
US-20050227981-A1 Aralkyl and aralkylidene heterocyclic lactam and imides PFIZER INC 2005-10-13 US disclosed
WO-2005061491-A2 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS WITH AFFINITY FOR 5-HT1 RECEPTORS PFIZER PRODUCTS INC. (US) 2005-07-07 WO 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 (2 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-20050227981-A1 Aralkyl and aralkylidene heterocyclic lactam and imides ARAF, MRPL21, ACSL3 HSD11B1 2375/4885DRD2 166/4885DRD3 89/4885
US-20050227980-A1 Aralkyl and aralkylidene heterocyclic lactam and imides ARAF, MRPL21, ACSL3 HSD11B1 2375/4885DRD2 166/4885DRD3 89/4885

“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.