SCHEMBL2811065

SCHEMBL2811065

O=c1cccnn1CCn1c2c(c3cc(F)ccc31)CN1CCC2CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.42
TBXA2R P21731 1/20 0.38
HRH1 P35367 3/20 0.38
HTR6 P50406 2/20 0.36
PER2 O15055 8/20 0.36
CRY2 Q49AN0 4/20 0.36

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
SCHEMBL2810623 0.82 TBXA2R (0.41) MCHR1TBXA2RHRH1PER2CRY2
SCHEMBL2813644 0.78 HTR6 (0.40) MCHR1TBXA2RHRH1HTR6PER2
SCHEMBL2810808 0.78 TBXA2R (0.41) TBXA2RHRH1HTR6PER2CRY2
SCHEMBL2811068 0.77 TBXA2R (0.42) MCHR1TBXA2RHRH1HTR6
SCHEMBL1722882 0.76 HTR6 (0.57) TBXA2RHRH1HTR6
SCHEMBL2815061 0.76 TBXA2R (0.58) TBXA2RHRH1
SCHEMBL2809410 0.75 MCHR1 (0.42) MCHR1TBXA2R
SCHEMBL2812789 0.75 HRH1 (0.48) TBXA2RHRH1HTR6
SCHEMBL2810996 0.74 HRH1 (0.51) MCHR1HRH1HTR6
SCHEMBL2816820 0.74 TBXA2R (0.47) TBXA2RHRH1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-09-30 US claimed
US-9983218-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2018-05-29 US disclosed
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC. (US) 2018-01-25 US disclosed
US-9625475-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2017-04-18 US disclosed
US-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-09-30 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 (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-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 MCHR1 127/4885TBXA2R 419/4885HRH1 457/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 MCHR1 127/4885TBXA2R 419/4885HRH1 457/4885

“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.