SCHEMBL5739775

SCHEMBL5739775

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
F9 P00740 1/20 0.37
TRPV4 Q9HBA0 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
KCNH2 Q12809 1/20 0.34
ROCK2 O75116 1/20 0.33
FPR2 P25090 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
GALR3 O60755 1/20 0.32
DGAT1 O75907 1/20 0.32
GRM2 Q14416 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HTR1A P08908 1/20 0.31

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 SCHEMBL6405378 0.99 HSD11B1 (0.37) HSD11B1F9TRPV4MAOAMAOB
SCHEMBL5737237 0.89 HSD11B1 (0.39) HSD11B1F9DRD2DRD3KCNH2
Hydrochloric Acid SCHEMBL6405313 0.88 HSD11B1 (0.38) HSD11B1F9DRD2DRD3KCNH2
SCHEMBL5738907 0.85 F9 (0.37) HSD11B1F9TRPV4MAOAMAOB
SCHEMBL5592512 0.85 DRD2 (0.39) HSD11B1F9DRD2DRD3KCNH2
SCHEMBL5592486 0.85 DRD2 (0.39) HSD11B1F9DRD2DRD3KCNH2
SCHEMBL5611716 0.85 DRD2 (0.39) HSD11B1F9DRD2DRD3KCNH2
Hydrochloric Acid SCHEMBL5823389 0.84 F9 (0.36) HSD11B1F9TRPV4MAOAMAOB
Hydrochloric Acid SCHEMBL5739570 0.84 DRD2 (0.38) HSD11B1F9DRD2DRD3KCNH2
SCHEMBL5739972 0.81 F9 (0.37) HSD11B1F9MAOAMAOBDRD2

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 2375/4885F9 238/4885TRPV4 4884/4885
US-20050227980-A1 Aralkyl and aralkylidene heterocyclic lactam and imides ARAF, MRPL21, ACSL3 HSD11B1 2375/4885F9 238/4885TRPV4 4884/4885

“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.