SCHEMBL7220110

SCHEMBL7220110

O=C(OC(CCCc1ccccc1)CCCc1ccccc1)[C@@H]1CCCCN1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.53
PIN1 Q13526 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CTSC P53634 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
EPHX2 P34913 1/20 0.42
MMP1 P03956 2/20 0.42
MMP2 P08253 2/20 0.42
MMP3 P08254 2/20 0.42

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
SCHEMBL27475679 0.94 FKBP1A (0.57) FKBP1APIN1SLC6A2SLC6A4SLC6A3
SCHEMBL3674851 0.93 FKBP1A (0.47) FKBP1ASLC6A2SLC6A4SLC6A3CTSC
SCHEMBL16586222 0.87 FKBP1A (0.52) FKBP1A
SCHEMBL5016287 0.87 FKBP1A (0.52) FKBP1A
SCHEMBL25756614 0.81 FKBP1A (0.50) FKBP1A
SCHEMBL22861529 0.81 FKBP1A (0.50) FKBP1A
SCHEMBL3676417 0.81 HTR2C (0.47) SLC6A2SLC6A4SLC6A3CTSCCYP3A4
SCHEMBL5017072 0.81 HTR2C (0.47) SLC6A2SLC6A4SLC6A3CTSCCYP3A4
SCHEMBL1980413 0.81 CTSC (0.55) SLC6A2SLC6A4SLC6A3CTSCCYP3A4
SCHEMBL7222149 0.80 FKBP1A (0.53) FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6544987-B2 Pyrrolidine or piperidine sulfonyl compounds; stimulate neurite outgrowth in nerve cells leading to nerve regeneration for treatment of hair loss, memory loss or vision disorders PFIZER INC. 2003-04-08 US disclosed
EP-1237869-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR STIMULATING NEURONAL GROWTH AND ELONGATION AGOURON PHARMACEUTICALS, INC. (US) 2002-09-11 EP disclosed
US-20020061881-A1 Compounds, compositions, and methods for stimulating neuronal growth and elongation AGOURON PHARMACEUTICALS, INC. 2002-05-23 US disclosed
WO-2001040185-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR STIMULATING NEURONAL GROWTH AND ELONGATION AGOURON PHARMACEUTICALS, INC. (US) 2001-06-07 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 (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-20020061881-A1 Compounds, compositions, and methods for stimulating neuronal growth and elongation NGF, GAP43, BDNF FKBP1A 4192/4885PIN1 3529/4885SLC6A2 3879/4885

“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.